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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (6-chloro-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-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-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c1-9-4-15-13(6-14(9)19)12(5-16(23)28-15)8-27-17(24)7-21-11(3)18(22(25)26)10(2)20-21/h4-6H,7-8H2,1-3H3