ethyl 1-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]nipecotic acid ethyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-2-28-18(25)11-5-4-8-19(9-11)14(22)10-20-16(23)12-6-3-7-13(21(26)27)15(12)17(20)24/h3,6-7,11H,2,4-5,8-10H2,1H3