[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C26H21N5O5 MolecularWeight: 483.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N5O5/c1-18(26(33)28-22-11-5-6-12-23(22)31(34)35)36-24(32)14-13-20-17-30(21-9-3-2-4-10-21)29-25(20)19-8-7-15-27-16-19/h2-18H,1H3,(H,28,33)/b14-13+/t18-/m1/s1