2-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]carbamoyl]benzoic acid Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O5/c19-13-7-3-4-8-14(13)20-15(23)9-10-16(24)21-22-17(25)11-5-1-2-6-12(11)18(26)27/h1-8H,9-10H2,(H,20,23)(H,21,24)(H,22,25)(H,26,27)