2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid Openeye Name: 5-isopropyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]thiazole-4-carboxylic acid CAS Name: 2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-5-propan-2-yl-4-thiazolecarboxylic acid IUPAC Name: 2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid Traditional Name: 5-isopropyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]thiazole-4-carboxylic acid Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(S1)NC(=O)C2=CC(=CN2C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=C(N=C(S1)NC(=O)C2=CC(=CN2C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N4O5S/c1-6(2)10-9(12(19)20)14-13(23-10)15-11(18)8-4-7(17(21)22)5-16(8)3/h4-6H,1-3H3,(H,19,20)(H,14,15,18)