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

Systemtic Name: ethyl (4S)-4-ethyl-6-[[(3-nitrophenyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(3-nitroanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[(3-nitroanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(3-nitroanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(3-nitroanilino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H20N4O5/c1-3-12-14(15(21)25-4-2)13(19-16(22)18-12)9-17-10-6-5-7-11(8-10)20(23)24/h5-8,12,17H,3-4,9H2,1-2H3,(H2,18,19,22)/t12-/m0/s1