2-ethoxy-4-[(4S)-6-methyl-2-oxidanylidene-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-[(4S)-6-methyl-2-oxidanylidene-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[(4S)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 4-[(4S)-5-[anilino(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[(4S)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[(4S)-2-keto-6-methyl-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Formula: C20H19N4O6- MolecularWeight: 411.38806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O6/c1-3-30-15-10-12(9-14(18(15)25)24(28)29)17-16(11(2)21-20(27)23-17)19(26)22-13-7-5-4-6-8-13/h4-10,17,25H,3H2,1-2H3,(H,22,26)(H2,21,23,27)/p-1/t17-/m0/s1