2-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]carbamoyl]benzoic acid Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H18ClN3O5/c1-11-14(20)7-4-8-15(11)21-16(24)9-10-17(25)22-23-18(26)12-5-2-3-6-13(12)19(27)28/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)