1-[1-(2-methyl-4-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(2-methyl-4-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2-methyl-4-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2-methyl-4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-methyl-4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2,5-diketo-1-(2-methyl-4-nitro-phenyl)pyrrolidin-3-yl]isonipecotic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19N3O6/c1-10-8-12(20(25)26)2-3-13(10)19-15(21)9-14(16(19)22)18-6-4-11(5-7-18)17(23)24/h2-3,8,11,14H,4-7,9H2,1H3,(H,23,24)