5-(4-azanyl-1-methoxy-butan-2-yl)-4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(4-azanyl-1-methoxy-butan-2-yl)-4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-amino-1-(methoxymethyl)propyl]-4-chloro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-(4-amino-1-methoxybutan-2-yl)-4-chloro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(4-amino-1-methoxybutan-2-yl)-4-chloro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-amino-1-(methoxymethyl)propyl]-4-chloro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C12H15ClN2O2 MolecularWeight: 254.7127

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CCN)C1C(=CC=C(C1=O)C#N)Cl

Isomeric SMILES

COCC(CCN)C1C(=CC=C(C1=O)C#N)Cl

InChI

InChI=1S/C12H15ClN2O2/c1-17-7-9(4-5-14)11-10(13)3-2-8(6-15)12(11)16/h2-3,9,11H,4-5,7,14H2,1H3