methyl 3-nitro-4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-27-19(24)14-7-8-17(16(11-14)22(25)26)28-12-18(23)21-10-9-15(20-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3