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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)O

InChI

InChI=1S/C17H17N3O5/c1-4-11-5-13-12(6-16(22)25-15(13)7-14(11)21)8-19-10(3)17(20(23)24)9(2)18-19/h5-7,21H,4,8H2,1-3H3