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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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