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

Systemtic Name: methyl 3-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamoyl]benzoate CAS Name: 3-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-12-15(21)7-4-8-16(12)22-17(25)9-10-18(26)23-24-19(27)13-5-3-6-14(11-13)20(28)29-2/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)