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

Systemtic Name: [2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-[(4-ethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-3-16-4-6-18(7-5-16)14-22(2)20(24)15-28-21(25)13-10-17-8-11-19(12-9-17)23(26)27/h4-13H,3,14-15H2,1-2H3/b13-10+