1-cyanoethyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: 1-cyanoethyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: 1-cyanoethyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid 1-cyanoethyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c1-8(6-13)20-11(16)7-14-12(17)9-3-2-4-10(5-9)15(18)19/h2-5,8H,7H2,1H3,(H,14,17)