methyl 4-[(E)-3-(2-chloranyl-4-nitro-phenoxy)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(2-chloranyl-4-nitro-phenoxy)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(2-chloro-4-nitro-phenoxy)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(2-chloro-4-nitrophenoxy)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(2-chloro-4-nitrophenoxy)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(2-chloro-4-nitro-phenoxy)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H12ClNO6 MolecularWeight: 361.73328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClNO6/c1-24-17(21)12-5-2-11(3-6-12)4-9-16(20)25-15-8-7-13(19(22)23)10-14(15)18/h2-10H,1H3/b9-4+