2-methoxy-4-methyl-6-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-allyl-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-allyl-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N=C(N1CC=C)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=C(N=C(N1CC=C)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H17N3O5/c1-4-8-18-10(2)13(15(20)21)14(17-16(18)24-3)11-6-5-7-12(9-11)19(22)23/h4-7,9-10H,1,8H2,2-3H3,(H,20,21)