2,2-dimethyl-6-nitro-4-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-3H-1,4-benzoxazine

Systemtic Name: 2,2-dimethyl-6-nitro-4-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-3H-1,4-benzoxazine Openeye Name: 2,2-dimethyl-6-nitro-4-[(1-oxidopyridin-1-ium-2-yl)methyl]-3H-1,4-benzoxazine CAS Name: 2,2-dimethyl-6-nitro-4-[(1-oxido-2-pyridin-1-iumyl)methyl]-3H-1,4-benzoxazine IUPAC Name: 2,2-dimethyl-6-nitro-4-[(1-oxidopyridin-1-ium-2-yl)methyl]-3H-1,4-benzoxazine Traditional Name: 2,2-dimethyl-6-nitro-4-[(1-oxidopyridin-1-ium-2-yl)methyl]-3H-1,4-benzoxazine Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C16H17N3O4/c1-16(2)11-17(10-13-5-3-4-8-18(13)20)14-9-12(19(21)22)6-7-15(14)23-16/h3-9H,10-11H2,1-2H3