2,2,7-trimethyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine

Systemtic Name: 2,2,7-trimethyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine Openeye Name: 2,2,7-trimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine CAS Name: 2,2,7-trimethyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-1,3-benzoxazine IUPAC Name: 2,2,7-trimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine Traditional Name: 2,2,7-trimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(N=C2C3=CC=CC=[N+]3[O-])(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(N=C2C3=CC=CC=[N+]3[O-])(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4/c1-10-8-14-11(9-13(10)19(21)22)15(17-16(2,3)23-14)12-6-4-5-7-18(12)20/h4-9H,1-3H3