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

Systemtic Name: diethyl 11-(3-nitrophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C28H21N3O7 MolecularWeight: 511.48224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N3O7/c1-3-37-27(33)21-20-13-12-17-11-10-16-8-6-14-29-23(16)24(17)30(20)25(22(21)28(34)38-4-2)26(32)18-7-5-9-19(15-18)31(35)36/h5-15H,3-4H2,1-2H3