(4-ethyl-2-oxidanylidene-chromen-7-yl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C24H21N3O6 MolecularWeight: 447.44004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H21N3O6/c1-4-17-11-22(28)33-21-12-19(9-10-20(17)21)32-24(29)18-7-5-16(6-8-18)13-26-15(3)23(27(30)31)14(2)25-26/h5-12H,4,13H2,1-3H3