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

Systemtic Name: [2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methanol Openeye Name: [2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methanol CAS Name: [2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazin-2-yl]methanol IUPAC Name: [2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methanol Traditional Name: [2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methanol Formula: C15H15N3O5 MolecularWeight: 317.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-15(10-19)9-16(14-4-2-3-7-17(14)20)12-8-11(18(21)22)5-6-13(12)23-15/h2-8,19H,9-10H2,1H3