methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-methylphenyl)carbamoylamino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-methylphenyl)carbamoylamino]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(p-tolylcarbamoylamino)phenyl]prop-2-enoate CAS Name: (E)-2-(1-aziridinylmethyl)-3-[2-[[(4-methylanilino)-oxomethyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-methylphenyl)carbamoylamino]phenyl]prop-2-enoate Traditional Name: (E)-2-(ethyleniminomethyl)-3-[2-(p-tolylcarbamoylamino)phenyl]acrylic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C=C(CN3CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2/C=C(\CN3CC3)/C(=O)OC

InChI

InChI=1S/C21H23N3O3/c1-15-7-9-18(10-8-15)22-21(26)23-19-6-4-3-5-16(19)13-17(20(25)27-2)14-24-11-12-24/h3-10,13H,11-12,14H2,1-2H3,(H2,22,23,26)/b17-13+