2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-2,3-dihydrochromen-4-one

Systemtic Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-2,3-dihydrochromen-4-one Openeye Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]chroman-4-one CAS Name: 2-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-2,3-dihydrochromen-4-one Traditional Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]chroman-4-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3CC(=O)C4=CC=CC=C4O3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3CC(=O)C4=CC=CC=C4O3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-13-22(25(27)28)14(2)24(23-13)12-16-10-15(8-9-19(16)29-3)21-11-18(26)17-6-4-5-7-20(17)30-21/h4-10,21H,11-12H2,1-3H3