3-(4-methoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Traditional Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Formula: C16H13N2O5+ MolecularWeight: 313.28482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)[N+](=O)[O-])C=[N+](C(=O)O2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=CC(=C1)[N+](=O)[O-])C=[N+](C(=O)O2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H13N2O5/c1-10-7-13(18(20)21)8-11-9-17(16(19)23-15(10)11)12-3-5-14(22-2)6-4-12/h3-9H,1-2H3/q+1