(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-aminocarbonyl-5-ethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-aminocarbonyl-5-ethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-carbamoyl-5-ethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3-carbamoyl-5-ethyl-4-nitro-1-pyrazolyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-carbamoyl-5-ethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3-carbamoyl-5-ethyl-4-nitro-pyrazol-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C18H28N4O5 MolecularWeight: 380.43872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CC(=O)OC2CC(CCC2C(C)C)C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1CC(=O)OC2CC(CCC2C(C)C)C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5/c1-5-13-17(22(25)26)16(18(19)24)20-21(13)9-15(23)27-14-8-11(4)6-7-12(14)10(2)3/h10-12,14H,5-9H2,1-4H3,(H2,19,24)