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

Systemtic Name: 2-(butoxymethyl)-2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazine Openeye Name: 2-(butoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine CAS Name: 2-(butoxymethyl)-2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazine IUPAC Name: 2-(butoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Traditional Name: 2-(butoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CCCCOCC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C19H23N3O5/c1-3-4-11-26-14-19(2)13-20(18-7-5-6-10-21(18)23)16-12-15(22(24)25)8-9-17(16)27-19/h5-10,12H,3-4,11,13-14H2,1-2H3