[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 3-methylbenzoate Openeye Name: [4-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(1,3-diketo-5-nitro-isoindolin-2-yl)phenyl] ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O6/c1-13-3-2-4-14(11-13)22(27)30-17-8-5-15(6-9-17)23-20(25)18-10-7-16(24(28)29)12-19(18)21(23)26/h2-12H,1H3