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

Systemtic Name: 4-[2-[(E)-2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(E)-2-cyano-3-(4-hydroxyanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(E)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(E)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(E)-2-cyano-3-(4-hydroxyanilino)-3-keto-prop-1-enyl]pyrrol-1-yl]benzoate Formula: C21H14N3O4- MolecularWeight: 372.35356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CN(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H15N3O4/c22-13-15(20(26)23-16-5-9-19(25)10-6-16)12-18-2-1-11-24(18)17-7-3-14(4-8-17)21(27)28/h1-12,25H,(H,23,26)(H,27,28)/p-1/b15-12+