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

Systemtic Name: 2-(methoxymethyl)-2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazine Openeye Name: 2-(methoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine CAS Name: 2-(methoxymethyl)-2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazine IUPAC Name: 2-(methoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Traditional Name: 2-(methoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])COC

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])COC

InChI

InChI=1S/C16H17N3O5/c1-16(11-23-2)10-17(15-5-3-4-8-18(15)20)13-9-12(19(21)22)6-7-14(13)24-16/h3-9H,10-11H2,1-2H3