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

Systemtic Name: ethyl 4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7/c1-2-28-17(25)19-8-6-18(7-9-19)13(22)10-20-15(23)11-4-3-5-12(21(26)27)14(11)16(20)24/h3-5H,2,6-10H2,1H3