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

Systemtic Name: 2-azanyl-3-[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]-5-nitro-benzoic acid Openeye Name: 2-amino-3-[2-(dipentylamino)indan-5-yl]-5-nitro-benzoic acid CAS Name: 2-amino-3-[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]-5-nitrobenzoic acid IUPAC Name: 2-amino-3-[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]-5-nitrobenzoic acid Traditional Name: 2-amino-3-[2-(diamylamino)indan-5-yl]-5-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)C3=CC(=CC(=C3N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CCCCC)C1CC2=C(C1)C=C(C=C2)C3=CC(=CC(=C3N)C(=O)O)[N+](=O)[O-]

InChI

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