ethyl (3S)-1-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-4-26-18(23)14-6-5-9-20(10-14)11-16(22)19-17-13(3)12(2)7-8-15(17)21(24)25/h7-8,14H,4-6,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1