8-[(3-isocyanophenyl)amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[(3-isocyanophenyl)amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-(3-isocyanoanilino)-8-oxo-octanoic acid CAS Name: 8-(3-isocyanoanilino)-8-oxooctanoic acid IUPAC Name: 8-(3-isocyanoanilino)-8-oxooctanoic acid Traditional Name: 8-(3-isocyanoanilino)-8-keto-caprylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC(=CC=C1)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC(=CC=C1)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C15H18N2O3/c1-16-12-7-6-8-13(11-12)17-14(18)9-4-2-3-5-10-15(19)20/h6-8,11H,2-5,9-10H2,(H,17,18)(H,19,20)