3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitro-2-(pentylamino)benzoic acid

Systemtic Name: 3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitro-2-(pentylamino)benzoic acid Openeye Name: 3-(indan-5-ylamino)-5-nitro-2-(pentylamino)benzoic acid CAS Name: 3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitro-2-(pentylamino)benzoic acid IUPAC Name: 3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitro-2-(pentylamino)benzoic acid Traditional Name: 2-(amylamino)-3-(indan-5-ylamino)-5-nitro-benzoic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H25N3O4/c1-2-3-4-10-22-20-18(21(25)26)12-17(24(27)28)13-19(20)23-16-9-8-14-6-5-7-15(14)11-16/h8-9,11-13,22-23H,2-7,10H2,1H3,(H,25,26)