1-(1,3-benzodioxol-5-ylmethyl)-5-[(3-naphthalen-1-yl-4-nitro-pyrrol-1-yl)methyl]imidazole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(3-naphthalen-1-yl-4-nitro-pyrrol-1-yl)methyl]imidazole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(1-naphthyl)-4-nitro-pyrrol-1-yl]methyl]imidazole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(1-naphthalenyl)-4-nitro-1-pyrrolyl]methyl]imidazole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(3-naphthalen-1-yl-4-nitropyrrol-1-yl)methyl]imidazole Traditional Name: 5-[[3-(1-naphthyl)-4-nitro-pyrrol-1-yl]methyl]-1-piperonyl-imidazole Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC=C3CN4C=C(C(=C4)[N+](=O)[O-])C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC=C3CN4C=C(C(=C4)[N+](=O)[O-])C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H20N4O4/c31-30(32)24-15-28(14-23(24)22-7-3-5-19-4-1-2-6-21(19)22)13-20-11-27-16-29(20)12-18-8-9-25-26(10-18)34-17-33-25/h1-11,14-16H,12-13,17H2