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

Systemtic Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-methyl-6-nitro-3-(3,4,5-trimethoxyphenyl)-1,3-benzoxazin-3-ium-2-one Formula: C18H17N2O7+ MolecularWeight: 373.33678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N2O7/c1-10-5-13(20(22)23)6-11-9-19(18(21)27-16(10)11)12-7-14(24-2)17(26-4)15(8-12)25-3/h5-9H,1-4H3/q+1