cyanomethyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: cyanomethyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: cyanomethyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid cyanomethyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c13-7-9-19-12(16)6-3-8-14-10-4-1-2-5-11(10)15(17)18/h1-2,4-5,14H,3,6,8-9H2