ethyl 1-[1-(2-methyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(2-methyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-(2-methyl-5-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-3-carboxylate CAS Name: 1-[1-(2-methyl-5-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-methyl-5-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate Traditional Name: 1-[2,5-diketo-1-(2-methyl-5-nitro-phenyl)pyrrolidin-3-yl]nipecotic acid ethyl ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O6/c1-3-28-19(25)13-5-4-8-20(11-13)16-10-17(23)21(18(16)24)15-9-14(22(26)27)7-6-12(15)2/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3