2-[1-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[1-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[1-(4-methoxyphenyl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[1-(4-methoxyphenyl)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[1-(4-methoxyphenyl)ethylamino]-5-nitro-benzoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-10(11-3-6-13(23-2)7-4-11)17-15-8-5-12(18(21)22)9-14(15)16(19)20/h3-10,17H,1-2H3,(H,19,20)