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

Systemtic Name: 1-[(2-nitrophenyl)methyl]indole-2-carboxylic acid Openeye Name: 1-[(2-nitrophenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(2-nitrophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(2-nitrophenyl)methyl]indole-2-carboxylic acid Traditional Name: 1-(2-nitrobenzyl)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(N2CC3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

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