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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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 (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-10-18(21(24)25)11(2)20(19-10)8-17(23)27-9-12-6-16(22)28-15-7-13(26-3)4-5-14(12)15/h4-7H,8-9H2,1-3H3