ethyl 4-[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[2-(2-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[[(2-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(N'-o-toluoylhydrazino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N7O5 MolecularWeight: 429.42982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O5/c1-3-31-19(28)25-10-8-24(9-11-25)17-15(26(29)30)16(20-12-21-17)22-23-18(27)14-7-5-4-6-13(14)2/h4-7,12H,3,8-11H2,1-2H3,(H,23,27)(H,20,21,22)