4-[2-carboxy-5-[(3-cyanophenyl)carbamoyl]phenyl]carbonyl-2-[(3-cyanophenyl)carbamoyl]benzoic acid

Systemtic Name: 4-[2-carboxy-5-[(3-cyanophenyl)carbamoyl]phenyl]carbonyl-2-[(3-cyanophenyl)carbamoyl]benzoic acid Openeye Name: 4-[2-carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid CAS Name: 4-[[2-carboxy-5-[(3-cyanoanilino)-oxomethyl]phenyl]-oxomethyl]-2-[(3-cyanoanilino)-oxomethyl]benzoic acid IUPAC Name: 4-[2-carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid Traditional Name: 4-[2-carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid Formula: C31H18N4O7 MolecularWeight: 558.49722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)NC4=CC=CC(=C4)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)NC4=CC=CC(=C4)C#N)C#N

InChI

InChI=1S/C31H18N4O7/c32-15-17-3-1-5-21(11-17)34-28(37)20-8-10-23(30(39)40)25(14-20)27(36)19-7-9-24(31(41)42)26(13-19)29(38)35-22-6-2-4-18(12-22)16-33/h1-14H,(H,34,37)(H,35,38)(H,39,40)(H,41,42)