4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C)O

InChI

InChI=1S/C16H15N3O5/c1-8-13(20)5-4-12-11(6-14(21)24-16(8)12)7-18-10(3)15(19(22)23)9(2)17-18/h4-6,20H,7H2,1-3H3