methyl (E)-3-(aziridin-1-yl)-2-isocyano-3-phenyl-prop-2-enoate

Systemtic Name: methyl (E)-3-(aziridin-1-yl)-2-isocyano-3-phenyl-prop-2-enoate Openeye Name: methyl (E)-3-(aziridin-1-yl)-2-isocyano-3-phenyl-prop-2-enoate CAS Name: (E)-3-(1-aziridinyl)-2-isocyano-3-phenyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(aziridin-1-yl)-2-isocyano-3-phenylprop-2-enoate Traditional Name: (E)-3-ethylenimino-2-isocyano-3-phenyl-acrylic acid methyl ester Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=CC=CC=C1)N2CC2)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C(/C1=CC=CC=C1)\N2CC2)/[N+]#[C-]

InChI

InChI=1S/C13H12N2O2/c1-14-11(13(16)17-2)12(15-8-9-15)10-6-4-3-5-7-10/h3-7H,8-9H2,2H3/b12-11+