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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzamide CAS Name: 4-anilino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzamide IUPAC Name: 4-anilino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzamide Traditional Name: 4-anilino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzamide Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C22H19N3O5/c26-22(24-17-8-10-20-21(14-17)30-12-4-11-29-20)15-7-9-18(19(13-15)25(27)28)23-16-5-2-1-3-6-16/h1-3,5-10,13-14,23H,4,11-12H2,(H,24,26)