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

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-7-(2-nitrophenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 3-(3,4-dimethoxyphenyl)-7-(2-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-7-[(2-nitrophenyl)-oxomethyl]-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethoxyphenyl)-7-(2-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(2-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H21N3O7 MolecularWeight: 475.45014

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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(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O7/c1-4-35-25(30)17-12-21(24(29)16-7-5-6-8-19(16)28(31)32)27-14-26-18(13-20(17)27)15-9-10-22(33-2)23(11-15)34-3/h5-14H,4H2,1-3H3