2-[(3,4-dimethoxyphenyl)-methyl-amino]-4-nitro-benzoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methyl-amino]-4-nitro-benzoic acid Openeye Name: 2-(3,4-dimethoxy-N-methyl-anilino)-4-nitro-benzoic acid CAS Name: 2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoic acid IUPAC Name: 2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoic acid Traditional Name: 2-(3,4-dimethoxy-N-methyl-anilino)-4-nitro-benzoic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6/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)