Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL NC(CC#C)C(=O)O 8 7 0 0 0 0 1 V2000 -0.8800 1.5300 0.0000 N 0 0 0 0 0 0 -0.6200 2.5100 0.0000 C 0 0 0 0 0 0 0.3600 2.7700 0.0000 C 0 0 0 0 0 0 1.3400 3.0300 0.0000 C 0 0 0 0 0 0 2.3200 3.2900 0.0000 C 0 0 0 0 0 0 -1.3400 3.2300 0.0000 C 0 0 0 0 0 0 -2.3200 2.9600 0.0000 O 0 0 0 0 0 0 -1.0700 4.2100 0.0000 O 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 3 0 2 6 1 0 6 7 2 0 6 8 1 0 M END