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

Systemtic Name: methyl 4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H12ClNO5 MolecularWeight: 345.73388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO5/c1-24-17(21)12-5-2-11(3-6-12)4-9-16(20)13-7-8-14(18)15(10-13)19(22)23/h2-10H,1H3/b9-4+