4-[3-[(4-nitrophenyl)amino]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-nitrophenyl)amino]propoxy]benzoic acid Openeye Name: 4-[3-(4-nitroanilino)propoxy]benzoic acid CAS Name: 4-[3-(4-nitroanilino)propoxy]benzoic acid IUPAC Name: 4-[3-(4-nitroanilino)propoxy]benzoic acid Traditional Name: 4-[3-(4-nitroanilino)propoxy]benzoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c19-16(20)12-2-8-15(9-3-12)23-11-1-10-17-13-4-6-14(7-5-13)18(21)22/h2-9,17H,1,10-11H2,(H,19,20)