ethyl (E)-2-cyano-3-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(5-nitropyridin-1-ium-2-yl)piperazino]acrylic acid ethyl ester Formula: C15H18N5O4+ MolecularWeight: 332.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/N1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H17N5O4/c1-2-24-15(21)12(9-16)11-18-5-7-19(8-6-18)14-4-3-13(10-17-14)20(22)23/h3-4,10-11H,2,5-8H2,1H3/p+1/b12-11+