ethyl 1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidine-3-carboxylate hydrochloride

Systemtic Name: ethyl 1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidine-3-carboxylate hydrochloride Openeye Name: ethyl 1-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]piperidine-3-carboxylate hydrochloride CAS Name: 1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-3-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperidine-3-carboxylate hydrochloride Traditional Name: 1-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]nipecotic acid ethyl ester hydrochloride Formula: C18H26ClN3O6 MolecularWeight: 415.86854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC.Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC.Cl

InChI

InChI=1S/C18H25N3O6.ClH/c1-3-27-18(23)13-5-4-9-20(12-13)10-8-17(22)19-15-11-14(21(24)25)6-7-16(15)26-2;/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,19,22);1H