4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethyl-coumarin Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H17N3O4/c1-9-5-14-13(7-16(21)24-15(14)6-10(9)2)8-19-12(4)17(20(22)23)11(3)18-19/h5-7H,8H2,1-4H3