[2-(3-nitrophenyl)-4-oxidanylidene-chromen-6-yl] 3-nitrobenzoate

Systemtic Name: [2-(3-nitrophenyl)-4-oxidanylidene-chromen-6-yl] 3-nitrobenzoate Openeye Name: [2-(3-nitrophenyl)-4-oxo-chromen-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3-nitrophenyl)-4-oxo-1-benzopyran-6-yl] ester IUPAC Name: [2-(3-nitrophenyl)-4-oxochromen-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-keto-2-(3-nitrophenyl)chromen-6-yl] ester Formula: C22H12N2O8 MolecularWeight: 432.33928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=O)C3=C(O2)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=O)C3=C(O2)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O8/c25-19-12-21(13-3-1-5-15(9-13)23(27)28)32-20-8-7-17(11-18(19)20)31-22(26)14-4-2-6-16(10-14)24(29)30/h1-12H