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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O6/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-13-5-4-12(17(20)21)10-14(13)19(22)23/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)