ethyl (2E)-2-cyano-2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)ethanoate Openeye Name: ethyl (2E)-2-cyano-2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-cyano-2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-cyano-2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)acetic acid ethyl ester Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NCCC2=CC=CC=C2N1)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\NCCC2=CC=CC=C2N1)/C#N

InChI

InChI=1S/C14H15N3O2/c1-2-19-14(18)11(9-15)13-16-8-7-10-5-3-4-6-12(10)17-13/h3-6,16-17H,2,7-8H2,1H3/b13-11+