methyl 4-[2-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-29-20(26)15-7-5-14(6-8-15)9-11-21-19(25)18-10-12-23(22-18)16-3-2-4-17(13-16)24(27)28/h2-8,10,12-13H,9,11H2,1H3,(H,21,25)