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

Systemtic Name: 2-(3-methylbutylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(isopentylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(3-methylbutylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(3-methylbutylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(isoamylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-10(2)6-7-17-13(16(21)22)9-15(20)18-12-5-4-11(3)8-14(12)19(23)24/h4-5,8,10,13,17H,6-7,9H2,1-3H3,(H,18,20)(H,21,22)