3-[(4-chloranyl-3-nitro-phenyl)methyl]-5-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)methyl]-5-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-chloro-3-nitro-phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid CAS Name: 3-[(4-chloro-3-nitrophenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4-chloro-3-nitrophenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 3-(4-chloro-3-nitro-benzyl)-5-hydroxy-1H-indole-2-carboxylic acid Formula: C16H11ClN2O5 MolecularWeight: 346.72194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O5/c17-12-3-1-8(6-14(12)19(23)24)5-11-10-7-9(20)2-4-13(10)18-15(11)16(21)22/h1-4,6-7,18,20H,5H2,(H,21,22)