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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H15ClN2O7 MolecularWeight: 418.7846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O7/c1-3-8-21-18(23)11-28-19(24)12-4-6-16(17(9-12)27-2)29-15-7-5-13(20)10-14(15)22(25)26/h1,4-7,9-10H,8,11H2,2H3,(H,21,23)