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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] (E)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] (E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5/c32-25(28-17-20-8-3-1-4-9-20)19-36-26(33)15-14-22-18-30(23-11-5-2-6-12-23)29-27(22)21-10-7-13-24(16-21)31(34)35/h2,5-7,10-16,18,20H,1,3-4,8-9,17,19H2,(H,28,32)/b15-14+