2-(3,3-dimethyl-7-nitro-2H-1-benzoxepin-5-yl)-4-nitro-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(3,3-dimethyl-7-nitro-2H-1-benzoxepin-5-yl)-4-nitro-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(3,3-dimethyl-7-nitro-2H-1-benzoxepin-5-yl)-4-nitro-1-oxido-pyridin-1-ium CAS Name: 2-(3,3-dimethyl-7-nitro-2H-1-benzoxepin-5-yl)-4-nitro-1-oxidopyridin-1-ium IUPAC Name: 2-(3,3-dimethyl-7-nitro-2H-1-benzoxepin-5-yl)-4-nitro-1-oxidopyridin-1-ium Traditional Name: 2-(3,3-dimethyl-7-nitro-2H-1-benzoxepin-5-yl)-4-nitro-1-oxido-pyridin-1-ium Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)C3=[N+](C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)C3=[N+](C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C17H15N3O6/c1-17(2)9-14(15-8-12(20(24)25)5-6-18(15)21)13-7-11(19(22)23)3-4-16(13)26-10-17/h3-9H,10H2,1-2H3