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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H15ClN2O7 MolecularWeight: 430.7953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CN2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CN2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O7/c1-28-19-9-12(20(25)29-11-16(24)14-3-2-8-22-14)4-6-18(19)30-17-7-5-13(21)10-15(17)23(26)27/h2-10,22H,11H2,1H3