N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylamino)-3-nitro-benzamide Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5/c1-20-14-4-3-12(9-15(14)22(24)25)18(23)21-10-11-7-13(19)17-16(8-11)26-5-2-6-27-17/h3-4,7-9,20H,2,5-6,10H2,1H3,(H,21,23)