N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylamino)-3-nitro-benzamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylamino)-3-nitro-benzamide Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5/c1-19-12-4-3-10(7-14(12)21(23)24)17(22)20-13-9-16-15(8-11(13)18)25-5-2-6-26-16/h3-4,7-9,19H,2,5-6H2,1H3,(H,20,22)