5-[3,5-bis(chloranyl)phenoxy]-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid

Systemtic Name: 5-[3,5-bis(chloranyl)phenoxy]-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid Openeye Name: 5-(3,5-dichlorophenoxy)-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid CAS Name: 5-(3,5-dichlorophenoxy)-1-(4-methyl-3-nitrophenyl)-2-indolecarboxylic acid IUPAC Name: 5-(3,5-dichlorophenoxy)-1-(4-methyl-3-nitrophenyl)indole-2-carboxylic acid Traditional Name: 5-(3,5-dichlorophenoxy)-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid Formula: C22H14Cl2N2O5 MolecularWeight: 457.26296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)OC4=CC(=CC(=C4)Cl)Cl)C=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)OC4=CC(=CC(=C4)Cl)Cl)C=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H14Cl2N2O5/c1-12-2-3-16(11-20(12)26(29)30)25-19-5-4-17(6-13(19)7-21(25)22(27)28)31-18-9-14(23)8-15(24)10-18/h2-11H,1H3,(H,27,28)