4-[(E)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoyl]-3-oxidanylidene-3-phenyl-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoyl]-3-oxidanylidene-3-phenyl-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-benzoyl-3-(2-chloro-4,6-dimethyl-anilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-benzoyl-3-(2-chloro-4,6-dimethylanilino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-benzoyl-3-(2-chloro-4,6-dimethylanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-benzoyl-3-(2-chloro-4,6-dimethyl-anilino)-3-keto-prop-1-enyl]benzoic acid Formula: C25H20ClNO4 MolecularWeight: 433.8836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H20ClNO4/c1-15-12-16(2)22(21(26)13-15)27-24(29)20(23(28)18-6-4-3-5-7-18)14-17-8-10-19(11-9-17)25(30)31/h3-14H,1-2H3,(H,27,29)(H,30,31)/b20-14+