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

Systemtic Name: 2,2-dimethyl-6-nitro-4-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-3H-1,4-benzoxazine Openeye Name: 2,2-dimethyl-6-nitro-4-[(1-oxidopyridin-1-ium-3-yl)methyl]-3H-1,4-benzoxazine CAS Name: 2,2-dimethyl-6-nitro-4-[(1-oxido-3-pyridin-1-iumyl)methyl]-3H-1,4-benzoxazine IUPAC Name: 2,2-dimethyl-6-nitro-4-[(1-oxidopyridin-1-ium-3-yl)methyl]-3H-1,4-benzoxazine Traditional Name: 2,2-dimethyl-6-nitro-4-[(1-oxidopyridin-1-ium-3-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=C[N+](=CC=C3)[O-])C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=C[N+](=CC=C3)[O-])C

InChI

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