[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H21ClN2O7 MolecularWeight: 496.89644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN2O7/c1-33-23-12-17(6-8-22(23)35-21-9-7-19(26)13-20(21)28(31)32)25(30)34-15-24(29)27-11-10-16-4-2-3-5-18(16)14-27/h2-9,12-13H,10-11,14-15H2,1H3