1-cyanoethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 1-cyanoethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 1-cyanoethyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid 1-cyanoethyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-8-5-10(3-4-11(8)16(19)20)13(18)15-7-12(17)21-9(2)6-14/h3-5,9H,7H2,1-2H3,(H,15,18)