2-[[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]amino]benzoic acid

Systemtic Name: 2-[[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]amino]benzoic acid Openeye Name: 2-[[(Z)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]amino]benzoic acid CAS Name: 2-[[(Z)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]amino]benzoic acid IUPAC Name: 2-[[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid Traditional Name: 2-[[(Z)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]amino]benzoic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CNC2=CC=CC=C2C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\NC2=CC=CC=C2C(=O)O)/C#N

InChI

InChI=1S/C18H15N3O3/c19-10-14(17(22)21-11-13-6-2-1-3-7-13)12-20-16-9-5-4-8-15(16)18(23)24/h1-9,12,20H,11H2,(H,21,22)(H,23,24)/b14-12-