3-nitro-4-(phenylcarbonyl)-5-thiocyanato-benzoic acid

Systemtic Name: 3-nitro-4-(phenylcarbonyl)-5-thiocyanato-benzoic acid Openeye Name: 4-benzoyl-3-nitro-5-thiocyanato-benzoic acid CAS Name: 4-benzoyl-3-nitro-5-thiocyanatobenzoic acid IUPAC Name: 4-benzoyl-3-nitro-5-thiocyanatobenzoic acid Traditional Name: 4-benzoyl-3-nitro-5-thiocyanato-benzoic acid Formula: C15H8N2O5S MolecularWeight: 328.29942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2SC#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2SC#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H8N2O5S/c16-8-23-12-7-10(15(19)20)6-11(17(21)22)13(12)14(18)9-4-2-1-3-5-9/h1-7H,(H,19,20)