[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6/c1-15-7-9-17(10-8-15)23-22(26)21(16-5-3-2-4-6-16)30-20(25)14-12-18-11-13-19(29-18)24(27)28/h2-14,21H,1H3,(H,23,26)/b14-12+/t21-/m1/s1