5-(1,3-benzodioxol-5-yl)-1-methyl-2-[(E)-2-nitroprop-1-enyl]imidazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-[(E)-2-nitroprop-1-enyl]imidazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-[(E)-2-nitroprop-1-enyl]imidazole CAS Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-[(E)-2-nitroprop-1-enyl]imidazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-[(E)-2-nitroprop-1-enyl]imidazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-[(E)-2-nitroprop-1-enyl]imidazole Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NC=C(N1C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=NC=C(N1C)C2=CC3=C(C=C2)OCO3)/[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-9(17(18)19)5-14-15-7-11(16(14)2)10-3-4-12-13(6-10)21-8-20-12/h3-7H,8H2,1-2H3/b9-5+