methyl (E)-2-(aziridin-1-ylmethyl)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-2-(1-aziridinylmethyl)-3-(2-nitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-(ethyleniminomethyl)-3-(2-nitrophenyl)acrylic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])CN2CC2

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/CN2CC2

InChI

InChI=1S/C13H14N2O4/c1-19-13(16)11(9-14-6-7-14)8-10-4-2-3-5-12(10)15(17)18/h2-5,8H,6-7,9H2,1H3/b11-8+