N-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-5-amine Openeye Name: N-allyl-N-[(2,3-dimethoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-5-amine Traditional Name: allyl-(4-nitrobenzofurazan-5-yl)-o-veratryl-amine Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CC=C)C2=C(C3=NON=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC=C)C2=C(C3=NON=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c1-4-10-21(11-12-6-5-7-15(25-2)18(12)26-3)14-9-8-13-16(20-27-19-13)17(14)22(23)24/h4-9H,1,10-11H2,2-3H3