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

Systemtic Name: 2-(cyclopentylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclopentylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(cyclopentylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(cyclopentylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(cyclopentylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-10-6-7-12(14(8-10)19(23)24)18-15(20)9-13(16(21)22)17-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9H2,1H3,(H,18,20)(H,21,22)