[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-methoxy-4-oxidanyl-benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-hydroxy-3-methoxy-benzoate CAS Name: 4-hydroxy-3-methoxybenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-hydroxy-3-methoxybenzoate Traditional Name: 4-hydroxy-3-methoxy-benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H13NO7/c1-23-15-8-11(5-6-13(15)18)16(20)24-9-14(19)10-3-2-4-12(7-10)17(21)22/h2-8,18H,9H2,1H3