[[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]amino] hydrogen carbonate

Systemtic Name: [[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]amino] hydrogen carbonate Openeye Name: [2-cyano-3-(4-methylpiperazin-1-yl)anilino] hydrogen carbonate CAS Name: carbonic acid [2-cyano-3-(4-methyl-1-piperazinyl)anilino] ester IUPAC Name: [2-cyano-3-(4-methylpiperazin-1-yl)anilino] hydrogen carbonate Traditional Name: carbonic acid [2-cyano-3-(4-methylpiperazino)anilino] ester Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=CC=C2)NOC(=O)O)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=CC=C2)NOC(=O)O)C#N

InChI

InChI=1S/C13H16N4O3/c1-16-5-7-17(8-6-16)12-4-2-3-11(10(12)9-14)15-20-13(18)19/h2-4,15H,5-8H2,1H3,(H,18,19)