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

Systemtic Name: methyl 4-[2-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]ethyl]benzoic acid methyl ester Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O5/c1-36-27(33)21-9-7-19(8-10-21)15-16-28-25(32)17-22-18-30(23-5-3-2-4-6-23)29-26(22)20-11-13-24(14-12-20)31(34)35/h2-14,18H,15-17H2,1H3,(H,28,32)