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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

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