[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H17NO6/c1-11-4-5-13(8-12(11)2)16(20)10-25-18(21)15-9-14(19(22)23)6-7-17(15)24-3/h4-9H,10H2,1-3H3