ethyl 4-[6-[2-(3-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[2-(3-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[2-(3-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[[(3-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[2-(3-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[N'-(3-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20ClN7O5 MolecularWeight: 449.8483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN7O5/c1-2-31-18(28)25-8-6-24(7-9-25)16-14(26(29)30)15(20-11-21-16)22-23-17(27)12-4-3-5-13(19)10-12/h3-5,10-11H,2,6-9H2,1H3,(H,23,27)(H,20,21,22)