tert-butyl N-[cyano-(4-nitrophenyl)methyl]carbamate

Systemtic Name: tert-butyl N-[cyano-(4-nitrophenyl)methyl]carbamate Openeye Name: tert-butyl N-[cyano-(4-nitrophenyl)methyl]carbamate CAS Name: N-[cyano-(4-nitrophenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[cyano-(4-nitrophenyl)methyl]carbamate Traditional Name: N-[cyano-(4-nitrophenyl)methyl]carbamic acid tert-butyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-13(2,3)20-12(17)15-11(8-14)9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3H3,(H,15,17)