(E)-3-[2-[bis(cyanomethyl)amino]-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[bis(cyanomethyl)amino]-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[bis(cyanomethyl)amino]-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[bis(cyanomethyl)amino]-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[bis(cyanomethyl)amino]-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[bis(cyanomethyl)amino]-5-nitro-phenyl]acrylic acid Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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