3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-(3-nitrobenzyl)-1H-indole-2-carboxylic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c19-16(20)15-13(12-6-1-2-7-14(12)17-15)9-10-4-3-5-11(8-10)18(21)22/h1-8,17H,9H2,(H,19,20)