[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H17ClN4O5 MolecularWeight: 416.81508

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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(=O)NCCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O5/c20-16-5-2-1-4-13(16)11-23-17-7-6-14(24(27)28)10-15(17)19(26)29-12-18(25)22-9-3-8-21/h1-2,4-7,10,23H,3,9,11-12H2,(H,22,25)