1-[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-3-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-chloro-3-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-chloro-3-nitro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C14H18ClN4O4+ MolecularWeight: 341.77012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN4O4/c15-11-2-1-10(7-12(11)19(22)23)17-13(20)8-18-5-3-9(4-6-18)14(16)21/h1-2,7,9H,3-6,8H2,(H2,16,21)(H,17,20)/p+1