[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl] 2,4-dinitrobenzoate

Systemtic Name: [4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl] 2,4-dinitrobenzoate Openeye Name: [4-(2,5-dioxopyrrol-1-yl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-(2,5-dioxo-1-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dioxopyrrol-1-yl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (4-maleimidophenyl) ester Formula: C17H9N3O8 MolecularWeight: 383.26866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=CC2=O)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=CC2=O)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H9N3O8/c21-15-7-8-16(22)18(15)10-1-4-12(5-2-10)28-17(23)13-6-3-11(19(24)25)9-14(13)20(26)27/h1-9H