ethyl 3-(2,4-dimethylphenyl)-7-(4-nitrophenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(2,4-dimethylphenyl)-7-(4-nitrophenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 3-(2,4-dimethylphenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-7-[(4-nitrophenyl)-oxomethyl]-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,4-dimethylphenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O5/c1-4-33-25(30)20-12-23(24(29)17-6-8-18(9-7-17)28(31)32)27-14-26-21(13-22(20)27)19-10-5-15(2)11-16(19)3/h5-14H,4H2,1-3H3