ethyl 7-(2-nitrophenyl)carbonyl-3-phenyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate

Systemtic Name: ethyl 7-(2-nitrophenyl)carbonyl-3-phenyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 7-(2-nitrobenzoyl)-3-phenyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 7-[(2-nitrophenyl)-oxomethyl]-3-phenyl-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-nitrobenzoyl)-3-phenylpyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 7-(2-nitrobenzoyl)-3-phenyl-pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O5/c1-2-31-23(28)17-12-21(22(27)16-10-6-7-11-19(16)26(29)30)25-14-24-18(13-20(17)25)15-8-4-3-5-9-15/h3-14H,2H2,1H3