tert-butyl 4-acetamido-3-[[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: tert-butyl 4-acetamido-3-[[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: tert-butyl 4-acetamido-3-[[2-(3-nitrophenyl)-2-oxo-ethyl]amino]benzoate CAS Name: 4-acetamido-3-[[2-(3-nitrophenyl)-2-oxoethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-3-[[2-(3-nitrophenyl)-2-oxoethyl]amino]benzoate Traditional Name: 4-acetamido-3-[[2-keto-2-(3-nitrophenyl)ethyl]amino]benzoic acid tert-butyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)NCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)NCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-13(25)23-17-9-8-15(20(27)30-21(2,3)4)11-18(17)22-12-19(26)14-6-5-7-16(10-14)24(28)29/h5-11,22H,12H2,1-4H3,(H,23,25)