[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-16(2)22(14-18-6-4-3-5-7-18)20(24)15-28-21(25)13-10-17-8-11-19(12-9-17)23(26)27/h3-13,16H,14-15H2,1-2H3/b13-10+