2-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(2-methyl-3-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methyl-3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(2-methyl-3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-methyl-3-nitro-phenyl)isoindoline-5-carboxylate Formula: C16H9N2O6- MolecularWeight: 325.25246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H10N2O6/c1-8-12(3-2-4-13(8)18(23)24)17-14(19)10-6-5-9(16(21)22)7-11(10)15(17)20/h2-7H,1H3,(H,21,22)/p-1