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

Systemtic Name: methyl (E)-3-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-cyano-prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c1-21-15(20)13(9-16)11-18(8-7-14(17)19)10-12-5-3-2-4-6-12/h2-6,11H,7-8,10H2,1H3,(H2,17,19)/b13-11+