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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

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