4-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(1,3-benzodioxol-5-yl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-20(21-15-6-8-18-19(12-15)28-13-27-18)14-5-7-16(17(11-14)23(25)26)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10,13H2,(H,21,24)