methyl (E)-3-azido-2-cyano-3-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]prop-2-enoate

Systemtic Name: methyl (E)-3-azido-2-cyano-3-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]prop-2-enoate Openeye Name: methyl (E)-3-azido-3-[(1-benzyl-2-ethoxy-2-oxo-ethyl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-azido-2-cyano-3-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-azido-2-cyano-3-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]prop-2-enoate Traditional Name: (E)-3-azido-3-[(1-benzyl-2-ethoxy-2-keto-ethyl)amino]-2-cyano-acrylic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=C(C#N)C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)N/C(=C(/C#N)\C(=O)OC)/N=[N+]=[N-]

InChI

InChI=1S/C16H17N5O4/c1-3-25-16(23)13(9-11-7-5-4-6-8-11)19-14(20-21-18)12(10-17)15(22)24-2/h4-8,13,19H,3,9H2,1-2H3/b14-12+