2-[1-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[1-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[1-(3,4-dimethoxyphenyl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[1-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-benzoic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N2O6/c1-10(11-4-7-15(24-2)16(8-11)25-3)18-14-6-5-12(19(22)23)9-13(14)17(20)21/h4-10,18H,1-3H3,(H,20,21)