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

Systemtic Name: ethyl 4-[5-nitro-6-[2-(4-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-[N'-(4-nitrobenzoyl)hydrazino]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20N8O7 MolecularWeight: 460.4008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N8O7/c1-2-33-18(28)24-9-7-23(8-10-24)16-14(26(31)32)15(19-11-20-16)21-22-17(27)12-3-5-13(6-4-12)25(29)30/h3-6,11H,2,7-10H2,1H3,(H,22,27)(H,19,20,21)