5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid

Systemtic Name: 5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid Openeye Name: 5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid CAS Name: 5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid IUPAC Name: 5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid Traditional Name: 5-nitro-2-[(3,4,5-trimethoxybenzyl)amino]benzoic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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