2,3-dimethoxy-6-[[(2-methoxy-4-nitro-phenyl)amino]methyl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[[(2-methoxy-4-nitro-phenyl)amino]methyl]benzoic acid Openeye Name: 2,3-dimethoxy-6-[(2-methoxy-4-nitro-anilino)methyl]benzoic acid CAS Name: 2,3-dimethoxy-6-[(2-methoxy-4-nitroanilino)methyl]benzoic acid IUPAC Name: 2,3-dimethoxy-6-[(2-methoxy-4-nitroanilino)methyl]benzoic acid Traditional Name: 2,3-dimethoxy-6-[(2-methoxy-4-nitro-anilino)methyl]benzoic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)O)OC

InChI

InChI=1S/C17H18N2O7/c1-24-13-7-4-10(15(17(20)21)16(13)26-3)9-18-12-6-5-11(19(22)23)8-14(12)25-2/h4-8,18H,9H2,1-3H3,(H,20,21)