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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-imidazol-1-yl-3-nitro-benzamide Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C19H16N4O5/c24-19(21-14-3-5-17-18(11-14)28-9-1-8-27-17)13-2-4-15(16(10-13)23(25)26)22-7-6-20-12-22/h2-7,10-12H,1,8-9H2,(H,21,24)