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

Systemtic Name: 6-chloranyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-coumarin Formula: C16H14ClN3O4 MolecularWeight: 347.75306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H14ClN3O4/c1-8-4-14-12(6-13(8)17)11(5-15(21)24-14)7-19-10(3)16(20(22)23)9(2)18-19/h4-6H,7H2,1-3H3