ethyl 11-(4-nitrophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate

Systemtic Name: ethyl 11-(4-nitrophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate Openeye Name: ethyl 11-(4-nitrobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate CAS Name: 11-[(4-nitrophenyl)-oxomethyl]-9-pyrrolo[1,2-a][1,10]phenanthrolinecarboxylic acid ethyl ester IUPAC Name: ethyl 11-(4-nitrobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate Traditional Name: 11-(4-nitrobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylic acid ethyl ester Formula: C25H17N3O5 MolecularWeight: 439.41958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17N3O5/c1-2-33-25(30)19-14-21(24(29)17-7-10-18(11-8-17)28(31)32)27-20(19)12-9-16-6-5-15-4-3-13-26-22(15)23(16)27/h3-14H,2H2,1H3