[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-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 [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-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 [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C27H23N5O6 MolecularWeight: 513.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O6/c1-18(27(34)29-23-15-22(32(35)36)11-12-24(23)37-2)38-25(33)13-10-20-17-31(21-8-4-3-5-9-21)30-26(20)19-7-6-14-28-16-19/h3-18H,1-2H3,(H,29,34)/b13-10+