ethyl 4-[2-[4-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23ClN8O6 MolecularWeight: 482.87822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H23ClN8O6/c1-4-33-18(30)25-7-5-24(6-8-25)17(29)11(3)26-9-12(10(2)23-26)20-16(28)14-13(19)15(22-21-14)27(31)32/h9,11H,4-8H2,1-3H3,(H,20,28)(H,21,22)