[2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethyl] ester Formula: C22H22ClN3O7 MolecularWeight: 475.87898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CCC#N)C2=CC(=C(C=C2)Cl)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CCC#N)C2=CC(=C(C=C2)Cl)C)OC

InChI

InChI=1S/C22H22ClN3O7/c1-4-32-20-12-18(26(29)30)16(11-19(20)31-3)22(28)33-13-21(27)25(9-5-8-24)15-6-7-17(23)14(2)10-15/h6-7,10-12H,4-5,9,13H2,1-3H3