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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC3=C(C(=CC(=C3)[N+](=O)[O-])C(=O)O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC3=C(C(=CC(=C3)[N+](=O)[O-])C(=O)O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O4/c24-17-7-4-14(5-8-17)13-25-22-20(23(28)29)11-19(27(30)31)12-21(22)26-18-9-6-15-2-1-3-16(15)10-18/h4-12,25-26H,1-3,13H2,(H,28,29)