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

Systemtic Name: ethyl 1-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(2-methyl-3-nitro-anilino)-3-oxo-propyl]piperidine-3-carboxylate CAS Name: 1-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]piperidine-3-carboxylate Traditional Name: 1-[3-keto-3-(2-methyl-3-nitro-anilino)propyl]nipecotic acid ethyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-3-26-18(23)14-6-5-10-20(12-14)11-9-17(22)19-15-7-4-8-16(13(15)2)21(24)25/h4,7-8,14H,3,5-6,9-12H2,1-2H3,(H,19,22)