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

Systemtic Name: 2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(propoxymethyl)-3H-1,4-benzoxazine Openeye Name: 2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(propoxymethyl)-3H-1,4-benzoxazine CAS Name: 2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-2-(propoxymethyl)-3H-1,4-benzoxazine IUPAC Name: 2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(propoxymethyl)-3H-1,4-benzoxazine Traditional Name: 2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(propoxymethyl)-3H-1,4-benzoxazine Formula: C18H21N3O5 MolecularWeight: 359.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CCCOCC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C18H21N3O5/c1-3-10-25-13-18(2)12-19(17-6-4-5-9-20(17)22)15-11-14(21(23)24)7-8-16(15)26-18/h4-9,11H,3,10,12-13H2,1-2H3