cyanomethylcarbamoyl-[2-(4-nitrophenyl)ethyl]carbamic acid

Systemtic Name: cyanomethylcarbamoyl-[2-(4-nitrophenyl)ethyl]carbamic acid Openeye Name: cyanomethylcarbamoyl-[2-(4-nitrophenyl)ethyl]carbamic acid CAS Name: [(cyanomethylamino)-oxomethyl]-[2-(4-nitrophenyl)ethyl]carbamic acid IUPAC Name: cyanomethylcarbamoyl-[2-(4-nitrophenyl)ethyl]carbamic acid Traditional Name: cyanomethylcarbamoyl-[2-(4-nitrophenyl)ethyl]carbamic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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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)