2,2-dimethyl-7-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazin-6-amine

Systemtic Name: 2,2-dimethyl-7-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazin-6-amine Openeye Name: 2,2-dimethyl-7-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-6-amine CAS Name: 2,2-dimethyl-7-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazin-6-amine IUPAC Name: 2,2-dimethyl-7-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-6-amine Traditional Name: [2,2-dimethyl-7-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-6-yl]amine Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(CN(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C15H16N4O4/c1-15(2)9-17(14-5-3-4-6-18(14)20)12-7-10(16)11(19(21)22)8-13(12)23-15/h3-8H,9,16H2,1-2H3