3-[2-[(E)-3-[(2-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-3-[(2-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-3-(2-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-3-(2-chloroanilino)-2-cyano-3-keto-prop-1-enyl]pyrrol-1-yl]benzoate Formula: C21H13ClN3O3- MolecularWeight: 390.79922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])/C#N)Cl

InChI

InChI=1S/C21H14ClN3O3/c22-18-8-1-2-9-19(18)24-20(26)15(13-23)12-17-7-4-10-25(17)16-6-3-5-14(11-16)21(27)28/h1-12H,(H,24,26)(H,27,28)/p-1/b15-12+