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

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)methyl]-5-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 5-hydroxy-3-[(4-methyl-3-nitro-phenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 5-hydroxy-3-[(4-methyl-3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-hydroxy-3-[(4-methyl-3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 5-hydroxy-3-(4-methyl-3-nitro-benzyl)-1H-indole-2-carboxylic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c1-9-2-3-10(7-15(9)19(23)24)6-13-12-8-11(20)4-5-14(12)18-16(13)17(21)22/h2-5,7-8,18,20H,6H2,1H3,(H,21,22)