1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]-6-(ethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]-6-(ethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-6-(ethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]-6-(ethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-6-(ethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 1-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoyl]-6-(ethylamino)pyridin-1-ium-3-carbonitrile Formula: C18H16ClN4O3+ MolecularWeight: 371.79764

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=[N+](C=C(C=C1)C#N)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

CCNC1=[N+](C=C(C=C1)C#N)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C18H15ClN4O3/c1-2-21-16-6-3-12(10-20)11-23(16)17(24)7-8-22-14-5-4-13(19)9-15(14)26-18(22)25/h3-6,9,11H,2,7-8H2,1H3/p+1