8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-2H-1,3-benzoxazin-3-ium Openeye Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-2H-1,3-benzoxazin-3-ium CAS Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-2H-1,3-benzoxazin-3-ium Traditional Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-2H-1,3-benzoxazin-3-ium Formula: C18H19N2O6+ MolecularWeight: 359.35326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2O6/c1-11-5-14(20(21)22)6-12-9-19(10-26-17(11)12)13-7-15(23-2)18(25-4)16(8-13)24-3/h5-9H,10H2,1-4H3/q+1