6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-prop-2-enyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-prop-2-enyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-allyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-allyl-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O5/c1-3-7-17-13(10-5-4-6-11(8-10)18(22)23)12(14(19)20)9(2)16-15(17)21/h3-6,8,13H,1,7H2,2H3,(H,16,21)(H,19,20)