cyclohexyl (Z)-3-[[(Z)-2-azanyl-1,2-dicyano-ethenyl]amino]-2-benzamido-prop-2-enoate

Systemtic Name: cyclohexyl (Z)-3-[[(Z)-2-azanyl-1,2-dicyano-ethenyl]amino]-2-benzamido-prop-2-enoate Openeye Name: cyclohexyl (Z)-3-[[(Z)-2-amino-1,2-dicyano-vinyl]amino]-2-benzamido-prop-2-enoate CAS Name: (Z)-3-[[(Z)-2-amino-1,2-dicyanoethenyl]amino]-2-benzamido-2-propenoic acid cyclohexyl ester IUPAC Name: cyclohexyl (Z)-3-[[(Z)-2-amino-1,2-dicyanoethenyl]amino]-2-benzamidoprop-2-enoate Traditional Name: (Z)-3-[[(Z)-2-amino-1,2-dicyano-vinyl]amino]-2-benzamido-acrylic acid cyclohexyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(=CNC(=C(C#N)N)C#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)OC(=O)/C(=C/N/C(=C(/C#N)\N)/C#N)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N5O3/c21-11-16(23)17(12-22)24-13-18(20(27)28-15-9-5-2-6-10-15)25-19(26)14-7-3-1-4-8-14/h1,3-4,7-8,13,15,24H,2,5-6,9-10,23H2,(H,25,26)/b17-16-,18-13-