3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-1H-indole-2-carboxylic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H20N4O5/c26-19(13-17-16-3-1-2-4-18(16)22-20(17)21(27)28)24-11-9-23(10-12-24)14-5-7-15(8-6-14)25(29)30/h1-8,22H,9-13H2,(H,27,28)