methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(methylcarbamoylamino)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(methylcarbamoylamino)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(methylcarbamoylamino)phenyl]prop-2-enoate CAS Name: (E)-2-(1-aziridinylmethyl)-3-[2-(methylcarbamoylamino)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(methylcarbamoylamino)phenyl]prop-2-enoate Traditional Name: (E)-2-(ethyleniminomethyl)-3-[2-(methylcarbamoylamino)phenyl]acrylic acid methyl ester Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC=C1C=C(CN2CC2)C(=O)OC

Isomeric SMILES

CNC(=O)NC1=CC=CC=C1/C=C(\CN2CC2)/C(=O)OC

InChI

InChI=1S/C15H19N3O3/c1-16-15(20)17-13-6-4-3-5-11(13)9-12(14(19)21-2)10-18-7-8-18/h3-6,9H,7-8,10H2,1-2H3,(H2,16,17,20)/b12-9+