(E)-3-[4-[bis(cyanomethyl)amino]-3-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-nitro-phenyl]acrylate Formula: C13H9N4O4- MolecularWeight: 285.23496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)[O-])[N+](=O)[O-])N(CC#N)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O4/c14-5-7-16(8-6-15)11-3-1-10(2-4-13(18)19)9-12(11)17(20)21/h1-4,9H,7-8H2,(H,18,19)/p-1/b4-2+