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

Systemtic Name: 2-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamoyl]benzoate Openeye Name: 2-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamoyl]benzoate CAS Name: 2-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-oxomethyl]benzoate IUPAC Name: 2-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoate Traditional Name: 2-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]carbamoyl]benzoate Formula: C20H20N3O5- MolecularWeight: 382.3899

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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=C2C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-12-7-8-13(2)16(11-12)21-17(24)9-10-18(25)22-23-19(26)14-5-3-4-6-15(14)20(27)28/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/p-1