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

Systemtic Name: 4-[5-methoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-methoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-methoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-methoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H19N3O7/c1-10-14(16(23)27-2)15(11-5-3-6-12(9-11)20(25)26)18-17(24)19(10)8-4-7-13(21)22/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,18,24)(H,21,22)