N-(cyanomethylcarbamoyl)-N-[2-(4-nitrophenyl)ethyl]carbamate

Systemtic Name: N-(cyanomethylcarbamoyl)-N-[2-(4-nitrophenyl)ethyl]carbamate Openeye Name: N-(cyanomethylcarbamoyl)-N-[2-(4-nitrophenyl)ethyl]carbamate CAS Name: N-[(cyanomethylamino)-oxomethyl]-N-[2-(4-nitrophenyl)ethyl]carbamate IUPAC Name: N-(cyanomethylcarbamoyl)-N-[2-(4-nitrophenyl)ethyl]carbamate Traditional Name: N-(cyanomethylcarbamoyl)-N-[2-(4-nitrophenyl)ethyl]carbamate Formula: C12H11N4O5- MolecularWeight: 291.23954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN(C(=O)NCC#N)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCN(C(=O)NCC#N)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5/c13-6-7-14-11(17)15(12(18)19)8-5-9-1-3-10(4-2-9)16(20)21/h1-4H,5,7-8H2,(H,14,17)(H,18,19)/p-1