4-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CCCC(=O)O)C

InChI

InChI=1S/C18H21N3O7/c1-3-28-17(24)15-11(2)20(9-5-8-14(22)23)18(25)19-16(15)12-6-4-7-13(10-12)21(26)27/h4,6-7,10,16H,3,5,8-9H2,1-2H3,(H,19,25)(H,22,23)