4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-3-prop-2-enyl-1,4-dihydropyrimidin-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-3-prop-2-enyl-1,4-dihydropyrimidin-2-one Openeye Name: 3-allyl-4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-1,4-dihydropyrimidin-2-one CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-3-prop-2-enyl-1,4-dihydropyrimidin-2-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-3-prop-2-enyl-1,4-dihydropyrimidin-2-one Traditional Name: 3-allyl-4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-1,4-dihydropyrimidin-2-one 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=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CC=C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

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