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

Systemtic Name: methyl 3-methyl-7-(4-nitrophenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: methyl 3-methyl-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 3-methyl-7-[(4-nitrophenyl)-oxomethyl]-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 3-methyl-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2C=N1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C(N2C=N1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13N3O5/c1-10-7-14-13(17(22)25-2)8-15(19(14)9-18-10)16(21)11-3-5-12(6-4-11)20(23)24/h3-9H,1-2H3