N-[3-chloranyl-5-[[(Z)-3-cyano-1,3-diisocyano-prop-2-enylidene]amino]-2-oxidanyl-phenyl]ethanamide

Systemtic Name: N-[3-chloranyl-5-[[(Z)-3-cyano-1,3-diisocyano-prop-2-enylidene]amino]-2-oxidanyl-phenyl]ethanamide Openeye Name: (Z)-N-(3-acetamido-5-chloro-4-hydroxy-phenyl)-3-cyano-3-isocyano-prop-2-enimidoyl isocyanide CAS Name: N-[3-chloro-5-[[(Z)-3-cyano-1,3-diisocyanoprop-2-enylidene]amino]-2-hydroxyphenyl]acetamide IUPAC Name: (Z)-N-(3-acetamido-5-chloro-4-hydroxyphenyl)-3-cyano-3-isocyanoprop-2-enimidoyl isocyanide Traditional Name: N-[3-chloro-5-[[(Z)-3-cyano-1,3-diisocyano-prop-2-enylidene]amino]-2-hydroxy-phenyl]acetamide Formula: C14H8ClN5O2 MolecularWeight: 313.69862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C1)N=C(C=C(C#N)[N+]#[C-])[N+]#[C-])Cl)O

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=C1)N=C(/C=C(/C#N)\[N+]#[C-])[N+]#[C-])Cl)O

InChI

InChI=1S/C14H8ClN5O2/c1-8(21)19-12-5-9(4-11(15)14(12)22)20-13(18-3)6-10(7-16)17-2/h4-6,22H,1H3,(H,19,21)/b10-6-,20-13?