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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-pyridin-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-pyridin-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-2-pyridinamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitropyridin-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-nitro-2-pyridyl)amine Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=CC=N3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=CC=N3)[N+](=O)[O-])OC1

InChI

InChI=1S/C14H13N3O4/c18-17(19)11-3-1-6-15-14(11)16-10-4-5-12-13(9-10)21-8-2-7-20-12/h1,3-6,9H,2,7-8H2,(H,15,16)