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

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (2-oxo-4-propyl-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 (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-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 (2-keto-4-propyl-chromen-7-yl) ester Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=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/C25H23N3O6/c1-4-5-19-12-23(29)34-22-13-20(10-11-21(19)22)33-25(30)18-8-6-17(7-9-18)14-27-16(3)24(28(31)32)15(2)26-27/h6-13H,4-5,14H2,1-3H3