cyanomethyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: cyanomethyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: cyanomethyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid cyanomethyl ester Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N)Cl

InChI

InChI=1S/C16H12ClN3O4/c17-14-4-2-1-3-11(14)10-19-15-6-5-12(20(22)23)9-13(15)16(21)24-8-7-18/h1-6,9,19H,8,10H2