[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H16ClN3O7 MolecularWeight: 433.79924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O7/c1-28-17-9-12(19(25)29-11-18(24)22-8-2-7-21)3-5-16(17)30-15-6-4-13(20)10-14(15)23(26)27/h3-6,9-10H,2,8,11H2,1H3,(H,22,24)