5-[3-[3-[(2-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-[3-[(2-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-[3-(2-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[3-(2-chloroanilino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]isophthalic acid Formula: C24H18ClN3O5 MolecularWeight: 463.86982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C24H18ClN3O5/c1-13-7-15(8-18(12-26)22(29)27-21-6-4-3-5-20(21)25)14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33/h3-11H,1-2H3,(H,27,29)(H,30,31)(H,32,33)