5-(3-chloranylphenoxy)-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid

Systemtic Name: 5-(3-chloranylphenoxy)-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid Openeye Name: 5-(3-chlorophenoxy)-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid CAS Name: 5-(3-chlorophenoxy)-1-(4-methyl-3-nitrophenyl)-2-indolecarboxylic acid IUPAC Name: 5-(3-chlorophenoxy)-1-(4-methyl-3-nitrophenyl)indole-2-carboxylic acid Traditional Name: 5-(3-chlorophenoxy)-1-(4-methyl-3-nitro-phenyl)indole-2-carboxylic acid Formula: C22H15ClN2O5 MolecularWeight: 422.8179

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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)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)C=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN2O5/c1-13-5-6-16(12-20(13)25(28)29)24-19-8-7-18(9-14(19)10-21(24)22(26)27)30-17-4-2-3-15(23)11-17/h2-12H,1H3,(H,26,27)