[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H17ClN4O6/c21-17-9-14(2-1-13(17)11-22)23-19(26)12-31-20(27)16-10-15(25(28)29)3-4-18(16)24-5-7-30-8-6-24/h1-4,9-10H,5-8,12H2,(H,23,26)