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

Systemtic Name: 3-(4-dimethylaminophenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(4-dimethylaminophenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(4-dimethylaminophenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(4-dimethylaminophenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Traditional Name: 3-(4-dimethylaminophenyl)-8-methyl-6-nitro-1,3-benzoxazin-3-ium-2-one Formula: C17H16N3O4+ MolecularWeight: 326.32664

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16N3O4/c1-11-8-15(20(22)23)9-12-10-19(17(21)24-16(11)12)14-6-4-13(5-7-14)18(2)3/h4-10H,1-3H3/q+1