dimethyl 11-(3-nitrophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate

Systemtic Name: dimethyl 11-(3-nitrophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: dimethyl 11-(3-nitrobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate CAS Name: 11-[(3-nitrophenyl)-oxomethyl]pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 11-(3-nitrobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Traditional Name: 11-(3-nitrobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylic acid dimethyl ester Formula: C26H17N3O7 MolecularWeight: 483.42908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=CC=N5)C=C3

Isomeric SMILES

COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=CC=N5)C=C3

InChI

InChI=1S/C26H17N3O7/c1-35-25(31)19-18-11-10-15-9-8-14-6-4-12-27-21(14)22(15)28(18)23(20(19)26(32)36-2)24(30)16-5-3-7-17(13-16)29(33)34/h3-13H,1-2H3