tert-butyl 4-[[[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-phenethyl-amino]methyl]-3-nitro-benzoate

Systemtic Name: tert-butyl 4-[[[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-phenethyl-amino]methyl]-3-nitro-benzoate Openeye Name: tert-butyl 4-[[[(E)-4-methoxy-4-oxo-but-2-enyl]-phenethyl-amino]methyl]-3-nitro-benzoate CAS Name: 4-[[[(E)-4-methoxy-4-oxobut-2-enyl]-phenethylamino]methyl]-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[(E)-4-methoxy-4-oxobut-2-enyl]-phenethylamino]methyl]-3-nitrobenzoate Traditional Name: 4-[[[(E)-4-keto-4-methoxy-but-2-enyl]-phenethyl-amino]methyl]-3-nitro-benzoic acid tert-butyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN(CCC2=CC=CC=C2)CC=CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN(CCC2=CC=CC=C2)C/C=C/C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H30N2O6/c1-25(2,3)33-24(29)20-12-13-21(22(17-20)27(30)31)18-26(15-8-11-23(28)32-4)16-14-19-9-6-5-7-10-19/h5-13,17H,14-16,18H2,1-4H3/b11-8+