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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Traditional Name: 3-(3,5-dimethoxyphenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Formula: C17H15N2O6+ MolecularWeight: 343.3108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N2O6/c1-10-4-13(19(21)22)5-11-9-18(17(20)25-16(10)11)12-6-14(23-2)8-15(7-12)24-3/h4-9H,1-3H3/q+1