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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(propan-2-ylamino)butanoic acid Openeye Name: 2-(isopropylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(propan-2-ylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(propan-2-ylamino)butanoic acid Traditional Name: 2-(isopropylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-8(2)15-11(14(19)20)7-13(18)16-10-6-9(17(21)22)4-5-12(10)23-3/h4-6,8,11,15H,7H2,1-3H3,(H,16,18)(H,19,20)