potassium 2-[(3,4-dimethoxyphenyl)-methyl-amino]-4-nitro-benzoate

Systemtic Name: potassium 2-[(3,4-dimethoxyphenyl)-methyl-amino]-4-nitro-benzoate Openeye Name: potassium 2-(3,4-dimethoxy-N-methyl-anilino)-4-nitro-benzoate CAS Name: potassium 2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoate IUPAC Name: potassium 2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoate Traditional Name: potassium 2-(3,4-dimethoxy-N-methyl-anilino)-4-nitro-benzoate Formula: C16H15KN2O6 MolecularWeight: 370.3984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)OC)OC)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-].[K+]

Isomeric SMILES

CN(C1=CC(=C(C=C1)OC)OC)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-].[K+]

InChI

InChI=1S/C16H16N2O6.K/c1-17(10-5-7-14(23-2)15(9-10)24-3)13-8-11(18(21)22)4-6-12(13)16(19)20;/h4-9H,1-3H3,(H,19,20);/q;+1/p-1