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

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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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(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-3-14-23(15-19-6-4-17(2)5-7-19)21(25)16-29-22(26)13-10-18-8-11-20(12-9-18)24(27)28/h4-13H,3,14-16H2,1-2H3/b13-10+