5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(3-nitrophenyl)methyl]-2-imidazolamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-(3-nitrobenzyl)amine Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=CN=C1NCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O4/c1-21-15(13-5-6-16-17(8-13)26-11-25-16)10-20-18(21)19-9-12-3-2-4-14(7-12)22(23)24/h2-8,10H,9,11H2,1H3,(H,19,20)