4-[(2-methoxy-5-nitro-phenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(isobutylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: 2-(isobutylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CC(C)CNC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C15H21N3O6/c1-9(2)8-16-12(15(20)21)7-14(19)17-11-6-10(18(22)23)4-5-13(11)24-3/h4-6,9,12,16H,7-8H2,1-3H3,(H,17,19)(H,20,21)