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

Systemtic Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium Openeye Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium CAS Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium Traditional Name: 3-(4-methoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium Formula: C16H15N2O4+ MolecularWeight: 299.3013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)[N+](=O)[O-])C=[N+](CO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=CC(=C1)[N+](=O)[O-])C=[N+](CO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H15N2O4/c1-11-7-14(18(19)20)8-12-9-17(10-22-16(11)12)13-3-5-15(21-2)6-4-13/h3-9H,10H2,1-2H3/q+1