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

Systemtic Name: dipropan-2-yl 11-(3-nitrophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 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 diisopropyl ester Formula: C30H25N3O7 MolecularWeight: 539.5354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25N3O7/c1-16(2)39-29(35)23-22-13-12-19-11-10-18-8-6-14-31-25(18)26(19)32(22)27(24(23)30(36)40-17(3)4)28(34)20-7-5-9-21(15-20)33(37)38/h5-17H,1-4H3