[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(3-methoxybenzoyl)amino]acetate CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(3-methoxybenzoyl)amino]acetate Traditional Name: 2-(m-anisoylamino)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CNC(=O)C1=CC(=CC=C1)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CNC(=O)C1=CC(=CC=C1)OC)/N

InChI

InChI=1S/C16H17N3O5/c1-10(18)13(7-17)14(20)9-24-15(21)8-19-16(22)11-4-3-5-12(6-11)23-2/h3-6H,8-9,18H2,1-2H3,(H,19,22)/b13-10+