4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(1-naphthylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(1-naphthalenylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(1-naphthylamino)prop-1-enyl]benzoic acid Formula: C21H14N2O3 MolecularWeight: 342.34746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H14N2O3/c22-13-17(12-14-8-10-16(11-9-14)21(25)26)20(24)23-19-7-3-5-15-4-1-2-6-18(15)19/h1-12H,(H,23,24)(H,25,26)/b17-12+