5-nitro-2-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCNC1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-2-3-4-9-22-17-10-14-5-6-16(11-15(14)12-17)23-20-8-7-18(24(27)28)13-19(20)21(25)26/h5-8,11,13,17,22-23H,2-4,9-10,12H2,1H3,(H,25,26)