ethyl 6-[[(4-iodophenyl)amino]methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(4-iodophenyl)amino]methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-iodoanilino)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-iodoanilino)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-iodoanilino)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-iodoanilino)methyl]-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19IN4O5 MolecularWeight: 522.29313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)I

InChI

InChI=1S/C20H19IN4O5/c1-2-30-19(26)17-16(11-22-14-8-6-13(21)7-9-14)23-20(27)24-18(17)12-4-3-5-15(10-12)25(28)29/h3-10,18,22H,2,11H2,1H3,(H2,23,24,27)