5-acetamido-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 5-acetamido-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 5-acetamido-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 5-acetamido-1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-acetamido-1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 5-acetamido-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carboxylic acid Formula: C11H12N6O5 MolecularWeight: 308.25018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=NN1C)C2=NC=C(N2C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C(=NN1C)C2=NC=C(N2C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N6O5/c1-5(18)13-9-7(11(19)20)8(14-16(9)3)10-12-4-6(15(10)2)17(21)22/h4H,1-3H3,(H,13,18)(H,19,20)