2-[2-cyanoethyl-(4-nitrophenyl)amino]ethyl ethanoate

Systemtic Name: 2-[2-cyanoethyl-(4-nitrophenyl)amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-nitro-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-nitroanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-nitroanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-nitro-anilino]ethyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-11(17)20-10-9-15(8-2-7-14)12-3-5-13(6-4-12)16(18)19/h3-6H,2,8-10H2,1H3