ethyl (3S)-1-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]nipecotic acid ethyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6/c1-4-27-18(23)13-6-5-7-20(10-13)11-17(22)19-14-9-16(26-3)15(21(24)25)8-12(14)2/h8-9,13H,4-7,10-11H2,1-3H3,(H,19,22)/t13-/m0/s1