[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C34H34N4O5 MolecularWeight: 578.65756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C(C4CCCC(=CC5=CC=CC=C5)C4=N3)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C(C4CCCC(=CC5=CC=CC=C5)C4=N3)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H34N4O5/c39-31(23-43-34(40)27-17-18-29(30(22-27)38(41)42)36-19-8-3-9-20-36)37-33(25-13-6-2-7-14-25)28-16-10-15-26(32(28)35-37)21-24-11-4-1-5-12-24/h1-2,4-7,11-14,17-18,21-22,28,33H,3,8-10,15-16,19-20,23H2