[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C19H17Cl2N3O6 MolecularWeight: 454.26078

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3O6/c20-15-3-1-12(9-16(15)21)22-18(25)11-30-19(26)14-10-13(24(27)28)2-4-17(14)23-5-7-29-8-6-23/h1-4,9-10H,5-8,11H2,(H,22,25)