butyl 4-[2-(6-nitroindazol-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(6-nitroindazol-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(6-nitroindazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(6-nitro-1-indazolyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(6-nitroindazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(6-nitroindazol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C20H20N4O5/c1-2-3-10-29-20(26)14-4-7-16(8-5-14)22-19(25)13-23-18-11-17(24(27)28)9-6-15(18)12-21-23/h4-9,11-12H,2-3,10,13H2,1H3,(H,22,25)