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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium Openeye Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium CAS Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium Traditional Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-2H-1,3-benzoxazin-3-ium Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N2O5/c1-11-4-14(19(20)21)5-12-9-18(10-24-17(11)12)13-6-15(22-2)8-16(7-13)23-3/h4-9H,10H2,1-3H3/q+1