4-[(2-methoxy-5-nitro-phenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(isopentylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid Traditional Name: 2-(isoamylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-10(2)6-7-17-13(16(21)22)9-15(20)18-12-8-11(19(23)24)4-5-14(12)25-3/h4-5,8,10,13,17H,6-7,9H2,1-3H3,(H,18,20)(H,21,22)