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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C19H21N3O4 MolecularWeight: 355.38774

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-10(2)15-8-16-14(7-18(23)26-17(16)6-11(15)3)9-21-13(5)19(22(24)25)12(4)20-21/h6-8,10H,9H2,1-5H3