(E)-3-[4-[2-cyanoethyl(methyl)amino]-3-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[2-cyanoethyl(methyl)amino]-3-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[2-cyanoethyl(methyl)amino]-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-cyanoethyl(methyl)amino]-3-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[4-[2-cyanoethyl(methyl)amino]-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-cyanoethyl(methyl)amino]-3-nitro-phenyl]acrylate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C(C=C1)C=CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C1=C(C=C(C=C1)/C=C/C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-15(8-2-7-14)11-5-3-10(4-6-13(17)18)9-12(11)16(19)20/h3-6,9H,2,8H2,1H3,(H,17,18)/p-1/b6-4+