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

Systemtic Name: [4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 3-methoxybenzoate Openeye Name: [4-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-(1,3-diketo-5-nitro-isoindolin-2-yl)phenyl] ester Formula: C22H14N2O7 MolecularWeight: 418.35576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C22H14N2O7/c1-30-17-4-2-3-13(11-17)22(27)31-16-8-5-14(6-9-16)23-20(25)18-10-7-15(24(28)29)12-19(18)21(23)26/h2-12H,1H3