[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO6/c1-11-2-5-14(8-15(11)18(22)23)16(20)10-24-17(21)13-6-3-12(9-19)4-7-13/h2-9H,10H2,1H3