N'-[(2S)-2-cyano-3-(3,4-dimethylphenyl)-3-oxidanylidene-propanoyl]-3,4-dimethyl-benzohydrazide

Systemtic Name: N'-[(2S)-2-cyano-3-(3,4-dimethylphenyl)-3-oxidanylidene-propanoyl]-3,4-dimethyl-benzohydrazide Openeye Name: N'-[(2S)-2-cyano-3-(3,4-dimethylphenyl)-3-oxo-propanoyl]-3,4-dimethyl-benzohydrazide CAS Name: N'-[(2S)-2-cyano-3-(3,4-dimethylphenyl)-1,3-dioxopropyl]-3,4-dimethylbenzohydrazide IUPAC Name: N'-[(2S)-2-cyano-3-(3,4-dimethylphenyl)-3-oxopropanoyl]-3,4-dimethylbenzohydrazide Traditional Name: N'-[(2S)-2-cyano-3-(3,4-dimethylphenyl)-3-keto-propanoyl]-3,4-dimethyl-benzohydrazide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C#N)C(=O)NNC(=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C#N)C(=O)NNC(=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C21H21N3O3/c1-12-5-7-16(9-14(12)3)19(25)18(11-22)21(27)24-23-20(26)17-8-6-13(2)15(4)10-17/h5-10,18H,1-4H3,(H,23,26)(H,24,27)/t18-/m0/s1