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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-chromen-2-one CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-methylchromen-2-one Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-coumarin Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O4/c1-9-4-5-13-12(7-15(20)23-14(13)6-9)8-18-11(3)16(19(21)22)10(2)17-18/h4-7H,8H2,1-3H3