N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolyl]-3-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-3-nitro-benzamide Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=CN=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N4O5/c1-21-14(11-5-6-15-16(8-11)27-10-26-15)9-19-18(21)20-17(23)12-3-2-4-13(7-12)22(24)25/h2-9H,10H2,1H3,(H,19,20,23)