4-(4-methylphenyl)carbonyl-2-nitro-6-oxidanyl-phenolate

Systemtic Name: 4-(4-methylphenyl)carbonyl-2-nitro-6-oxidanyl-phenolate Openeye Name: 2-hydroxy-4-(4-methylbenzoyl)-6-nitro-phenolate CAS Name: 2-hydroxy-4-[(4-methylphenyl)-oxomethyl]-6-nitrophenolate IUPAC Name: 2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenolate Traditional Name: 2-hydroxy-6-nitro-4-p-toluoyl-phenolate Formula: C14H10NO5- MolecularWeight: 272.2329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3/p-1