4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(cyclohexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(cyclohexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(cyclohexylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(cyclohexylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(cyclohexylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(cyclohexylamino)-4-keto-butyric acid Formula: C16H20ClN3O5 MolecularWeight: 369.8001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C16H20ClN3O5/c17-12-7-6-11(20(24)25)8-13(12)19-15(21)9-14(16(22)23)18-10-4-2-1-3-5-10/h6-8,10,14,18H,1-5,9H2,(H,19,21)(H,22,23)