4-[[3-azanyl-5-chloranyl-3-(2-chlorophenyl)-2-oxidanylidene-indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-azanyl-5-chloranyl-3-(2-chlorophenyl)-2-oxidanylidene-indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxo-indolin-1-yl]methyl]benzoic acid CAS Name: 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxo-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-keto-indolin-1-yl]methyl]benzoic acid Formula: C22H16Cl2N2O3 MolecularWeight: 427.28004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2(C3=C(C=CC(=C3)Cl)N(C2=O)CC4=CC=C(C=C4)C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2(C3=C(C=CC(=C3)Cl)N(C2=O)CC4=CC=C(C=C4)C(=O)O)N)Cl

InChI

InChI=1S/C22H16Cl2N2O3/c23-15-9-10-19-17(11-15)22(25,16-3-1-2-4-18(16)24)21(29)26(19)12-13-5-7-14(8-6-13)20(27)28/h1-11H,12,25H2,(H,27,28)