2-[2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoethyl]benzoic acid Traditional Name: 2-[2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-ethyl]benzoic acid Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C(=O)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C(=O)CC2=CC=CC=C2C(=O)O

InChI

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