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

Systemtic Name: 2-[[2-[(4-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]amino]-5-nitro-benzoic acid Openeye Name: 2-[[2-[(4-fluorophenyl)methylamino]indan-5-yl]amino]-5-nitro-benzoic acid CAS Name: 2-[[2-[(4-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[[2-[(4-fluorophenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]amino]-5-nitrobenzoic acid Traditional Name: 2-[[2-[(4-fluorobenzyl)amino]indan-5-yl]amino]-5-nitro-benzoic acid Formula: C23H20FN3O4 MolecularWeight: 421.421003

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C1C=CC(=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O4/c24-17-4-1-14(2-5-17)13-25-19-9-15-3-6-18(10-16(15)11-19)26-22-8-7-20(27(30)31)12-21(22)23(28)29/h1-8,10,12,19,25-26H,9,11,13H2,(H,28,29)