N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-14(15-4-6-19-20(12-15)30-10-2-9-29-19)23-21(26)16-3-5-17(18(11-16)25(27)28)24-8-7-22-13-24/h3-8,11-14H,2,9-10H2,1H3,(H,23,26)