[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-3-12-21(13-16-6-4-15(2)5-7-16)18(23)14-27-20(24)11-9-17-8-10-19(28-17)22(25)26/h4-11H,3,12-14H2,1-2H3/b11-9+