4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-5-nitro-3-prop-2-enyl-4H-pyrimidine

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

Isomeric SMILES

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

InChI

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