4-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[2-(dipentylamino)indan-5-yl]amino]-3-nitro-benzoic acid CAS Name: 4-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[2-(diamylamino)indan-5-yl]amino]-3-nitro-benzoic acid Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CCCCC)C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H35N3O4/c1-3-5-7-13-28(14-8-6-4-2)23-16-19-9-11-22(15-21(19)17-23)27-24-12-10-20(26(30)31)18-25(24)29(32)33/h9-12,15,18,23,27H,3-8,13-14,16-17H2,1-2H3,(H,30,31)