[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-(2-nitrophenyl)prop-2-enoate CAS Name: 3-(2-nitrophenyl)-2-propenoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(2-nitrophenyl)prop-2-enoate Traditional Name: 3-(2-nitrophenyl)acrylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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