3-[chloranyl(2-oxidanylideneethyl)amino]-4-heptadecyl-benzenecarbonitrile

Systemtic Name: 3-[chloranyl(2-oxidanylideneethyl)amino]-4-heptadecyl-benzenecarbonitrile Openeye Name: 3-[chloro(2-oxoethyl)amino]-4-heptadecyl-benzonitrile CAS Name: 3-[chloro(2-oxoethyl)amino]-4-heptadecylbenzonitrile IUPAC Name: 3-[chloro(2-oxoethyl)amino]-4-heptadecylbenzonitrile Traditional Name: 3-[chloro(2-ketoethyl)amino]-4-heptadecyl-benzonitrile Formula: C26H41ClN2O MolecularWeight: 433.06954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)C#N)N(CC=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)C#N)N(CC=O)Cl

InChI

InChI=1S/C26H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-18-24(23-28)22-26(25)29(27)20-21-30/h18-19,21-22H,2-17,20H2,1H3