methyl 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-29-17-9-8-13(10-16(17)24(27)28)19-15(20(26)21-11-18(25)30-2)12-23(22-19)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,26)