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

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic 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] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C30H27N3O5 MolecularWeight: 509.55248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5

InChI

InChI=1S/C30H27N3O5/c1-20-24(15-9-17-26(20)33(36)37)30(35)38-19-27(34)32-29(22-12-6-3-7-13-22)25-16-8-14-23(28(25)31-32)18-21-10-4-2-5-11-21/h2-7,9-13,15,17-18,25,29H,8,14,16,19H2,1H3