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

Systemtic Name: 2-(cyclohexylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclohexylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(cyclohexylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(cyclohexylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-11-7-8-13(15(9-11)20(24)25)19-16(21)10-14(17(22)23)18-12-5-3-2-4-6-12/h7-9,12,14,18H,2-6,10H2,1H3,(H,19,21)(H,22,23)