4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C18H13N2O3- MolecularWeight: 305.30742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C18H14N2O3/c19-11-16(10-13-6-8-15(9-7-13)18(22)23)17(21)20-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,20,21)(H,22,23)/p-1/b16-10+