(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-12-21(24(27)28)13(2)23(22-12)10-19(26)29-11-15-9-18(25)30-17-8-7-14-5-3-4-6-16(14)20(15)17/h3-9H,10-11H2,1-2H3