2-nitro-6-(3-phenylpropylamino)benzoic acid

Systemtic Name: 2-nitro-6-(3-phenylpropylamino)benzoic acid Openeye Name: 2-nitro-6-(3-phenylpropylamino)benzoic acid CAS Name: 2-nitro-6-(3-phenylpropylamino)benzoic acid IUPAC Name: 2-nitro-6-(3-phenylpropylamino)benzoic acid Traditional Name: 2-nitro-6-(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)15-13(9-4-10-14(15)18(21)22)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10,17H,5,8,11H2,(H,19,20)