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

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-nitro-phenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-nitro-phenyl)methyl]-1H-indole-2-carboxylic acid Formula: C25H16ClN3O7 MolecularWeight: 505.86344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(C3=CC(=CC(=C3O)[N+](=O)[O-])Cl)C4=C(NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(C3=CC(=CC(=C3O)[N+](=O)[O-])Cl)C4=C(NC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H16ClN3O7/c26-11-9-14(23(30)17(10-11)29(35)36)18(19-12-5-1-3-7-15(12)27-21(19)24(31)32)20-13-6-2-4-8-16(13)28-22(20)25(33)34/h1-10,18,27-28,30H,(H,31,32)(H,33,34)