methyl (E)-4-oxidanyl-2-oxidanylidene-4-[(phenylmethyl)amino]but-3-enoate

Systemtic Name: methyl (E)-4-oxidanyl-2-oxidanylidene-4-[(phenylmethyl)amino]but-3-enoate Openeye Name: methyl (E)-4-(benzylamino)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (E)-4-hydroxy-2-oxo-4-[(phenylmethyl)amino]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(benzylamino)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (E)-4-(benzylamino)-4-hydroxy-2-keto-but-3-enoic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C=C(NCC1=CC=CC=C1)O

Isomeric SMILES

COC(=O)C(=O)/C=C(\NCC1=CC=CC=C1)/O

InChI

InChI=1S/C12H13NO4/c1-17-12(16)10(14)7-11(15)13-8-9-5-3-2-4-6-9/h2-7,13,15H,8H2,1H3/b11-7+