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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitro-benzoic acid Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-3-(indan-5-ylamino)-5-nitro-benzoic acid CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitrobenzoic acid IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-3-(2,3-dihydro-1H-inden-5-ylamino)-5-nitrobenzoic acid Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-3-(indan-5-ylamino)-5-nitro-benzoic acid Formula: C23H19Cl2N3O4 MolecularWeight: 472.32066

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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)Cl)Cl

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)Cl)Cl

InChI

InChI=1S/C23H19Cl2N3O4/c24-19-7-4-13(8-20(19)25)12-26-22-18(23(29)30)10-17(28(31)32)11-21(22)27-16-6-5-14-2-1-3-15(14)9-16/h4-11,26-27H,1-3,12H2,(H,29,30)