4-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)benzoic acid Openeye Name: 4-(3-anilino-3-oxo-prop-1-ynyl)benzoic acid CAS Name: 4-(3-anilino-3-oxoprop-1-ynyl)benzoic acid IUPAC Name: 4-(3-anilino-3-oxoprop-1-ynyl)benzoic acid Traditional Name: 4-(3-anilino-3-keto-prop-1-ynyl)benzoic acid Formula: C16H11NO3 MolecularWeight: 265.26344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H11NO3/c18-15(17-14-4-2-1-3-5-14)11-8-12-6-9-13(10-7-12)16(19)20/h1-7,9-10H,(H,17,18)(H,19,20)