ethyl (E)-3-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3-amino-3-oxopropyl)-benzylamino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[(3-amino-3-keto-propyl)-benzyl-amino]-2-cyano-acrylic acid ethyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(CCC(=O)N)CC1=CC=CC=C1)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N(CCC(=O)N)CC1=CC=CC=C1)/C#N

InChI

InChI=1S/C16H19N3O3/c1-2-22-16(21)14(10-17)12-19(9-8-15(18)20)11-13-6-4-3-5-7-13/h3-7,12H,2,8-9,11H2,1H3,(H2,18,20)/b14-12+