[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O5/c28-21(24-18-10-11-18)15-32-22(29)12-9-17-14-26(19-6-2-1-3-7-19)25-23(17)16-5-4-8-20(13-16)27(30)31/h1-9,12-14,18H,10-11,15H2,(H,24,28)