(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-11(2)16-8-17-15(7-19(25)30-18(17)6-12(16)3)10-29-20(26)9-23-14(5)21(24(27)28)13(4)22-23/h6-8,11H,9-10H2,1-5H3