[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13(2)11-18(24)21-15-5-3-14(4-6-15)17(23)12-28-20(25)10-8-16-7-9-19(29-16)22(26)27/h3-10,13H,11-12H2,1-2H3,(H,21,24)/b10-8+