methyl 3-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamoyl]benzoate CAS Name: 3-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O5/c1-13-7-8-14(2)17(11-13)22-18(25)9-10-19(26)23-24-20(27)15-5-4-6-16(12-15)21(28)29-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)