2-[2-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[2-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[2-(4-methoxyphenyl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-(4-methoxyphenyl)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[2-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-23-13-5-2-11(3-6-13)8-9-17-15-7-4-12(18(21)22)10-14(15)16(19)20/h2-7,10,17H,8-9H2,1H3,(H,19,20)