4-nitro-2-(3-phenylpropylamino)benzoic acid

Systemtic Name: 4-nitro-2-(3-phenylpropylamino)benzoic acid Openeye Name: 4-nitro-2-(3-phenylpropylamino)benzoic acid CAS Name: 4-nitro-2-(3-phenylpropylamino)benzoic acid IUPAC Name: 4-nitro-2-(3-phenylpropylamino)benzoic acid Traditional Name: 4-nitro-2-(3-phenylpropylamino)benzoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O4/c19-16(20)14-9-8-13(18(21)22)11-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)