[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-acetamido-3-methyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C16H17N3O4/c1-9-5-4-6-12(15(9)19-11(3)20)16(22)23-8-14(21)13(7-17)10(2)18/h4-6H,8,18H2,1-3H3,(H,19,20)/b13-10+