4-[(4-methyl-2-nitro-phenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(isobutylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: 2-(isobutylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-9(2)8-16-12(15(20)21)7-14(19)17-11-5-4-10(3)6-13(11)18(22)23/h4-6,9,12,16H,7-8H2,1-3H3,(H,17,19)(H,20,21)