(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl ethanoate

Systemtic Name: (8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl ethanoate Openeye Name: (8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl acetate CAS Name: acetic acid (8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl ester IUPAC Name: (8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl acetate Traditional Name: acetic acid (8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NN2C(=C1)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1=NN2C(=C1)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O4/c1-13(25)28-12-15-9-17-11-21-20(14-5-3-2-4-6-14)18-10-16(24(26)27)7-8-19(18)23(17)22-15/h2-10H,11-12H2,1H3