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

Systemtic Name: ethyl 4-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6/c1-2-26-16(23)18-8-6-17(7-9-18)10-19-14(21)11-4-3-5-12(20(24)25)13(11)15(19)22/h3-5H,2,6-10H2,1H3