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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H15ClN3O4+ MolecularWeight: 336.7503

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=C(C=CC=[NH+]3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=C(C=CC=[NH+]3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C15H14ClN3O4/c16-11-7-10(8-13-14(11)23-6-2-5-22-13)9-18-15-12(19(20)21)3-1-4-17-15/h1,3-4,7-8H,2,5-6,9H2,(H,17,18)/p+1