dimethyl 5-nitro-3-oxidanylidene-2H-benzo[g]isoindole-1,1-dicarboxylate

Systemtic Name: dimethyl 5-nitro-3-oxidanylidene-2H-benzo[g]isoindole-1,1-dicarboxylate Openeye Name: dimethyl 5-nitro-3-oxo-2H-benzo[g]isoindole-1,1-dicarboxylate CAS Name: 5-nitro-3-oxo-2H-benzo[g]isoindole-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-nitro-3-oxo-2H-benzo[g]isoindole-1,1-dicarboxylate Traditional Name: 3-keto-5-nitro-2H-benz[g]isoindole-1,1-dicarboxylic acid dimethyl ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])C(=O)N1)C(=O)OC

Isomeric SMILES

COC(=O)C1(C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])C(=O)N1)C(=O)OC

InChI

InChI=1S/C16H12N2O7/c1-24-14(20)16(15(21)25-2)12-9-6-4-3-5-8(9)11(18(22)23)7-10(12)13(19)17-16/h3-7H,1-2H3,(H,17,19)