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

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (2-oxochromen-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-1-benzopyran-7-yl) ester IUPAC Name: (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 (2-ketochromen-7-yl) ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c1-13-21(25(28)29)14(2)24(23-13)12-15-3-5-17(6-4-15)22(27)30-18-9-7-16-8-10-20(26)31-19(16)11-18/h3-11H,12H2,1-2H3