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

Systemtic Name: 2-(cyclopentylamino)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclopentylamino)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(cyclopentylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(cyclopentylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(cyclopentylamino)-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C16H21N3O6 MolecularWeight: 351.35444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NC2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NC2CCCC2

InChI

InChI=1S/C16H21N3O6/c1-25-14-8-11(19(23)24)6-7-12(14)18-15(20)9-13(16(21)22)17-10-4-2-3-5-10/h6-8,10,13,17H,2-5,9H2,1H3,(H,18,20)(H,21,22)