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

Systemtic Name: [2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl ethanoate Openeye Name: [2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl acetate CAS Name: acetic acid [2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazin-2-yl]methyl ester IUPAC Name: [2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl acetate Traditional Name: acetic acid [2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC(=O)OCC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H17N3O6/c1-12(21)25-11-17(2)10-18(16-5-3-4-8-19(16)22)14-9-13(20(23)24)6-7-15(14)26-17/h3-9H,10-11H2,1-2H3