[4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 3,4-dimethylbenzoate

Systemtic Name: [4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 3,4-dimethylbenzoate Openeye Name: [4-(4-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [4-(4-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-(1,3-diketo-4-nitro-isoindolin-2-yl)phenyl] ester Formula: C23H16N2O6 MolecularWeight: 416.38294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H16N2O6/c1-13-6-7-15(12-14(13)2)23(28)31-17-10-8-16(9-11-17)24-21(26)18-4-3-5-19(25(29)30)20(18)22(24)27/h3-12H,1-2H3