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

Systemtic Name: 2-(cyclohexylamino)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclohexylamino)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(cyclohexylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(cyclohexylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylamino)-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NC2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NC2CCCCC2

InChI

InChI=1S/C17H23N3O6/c1-26-15-9-12(20(24)25)7-8-13(15)19-16(21)10-14(17(22)23)18-11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10H2,1H3,(H,19,21)(H,22,23)