carboxy-[[2-(4-methylpyrazol-1-yl)-5-nitro-phenyl]methyl]carbamic acid

Systemtic Name: carboxy-[[2-(4-methylpyrazol-1-yl)-5-nitro-phenyl]methyl]carbamic acid Openeye Name: carboxy-[[2-(4-methylpyrazol-1-yl)-5-nitro-phenyl]methyl]carbamic acid CAS Name: carboxy-[[2-(4-methyl-1-pyrazolyl)-5-nitrophenyl]methyl]carbamic acid IUPAC Name: carboxy-[[2-(4-methylpyrazol-1-yl)-5-nitrophenyl]methyl]carbamic acid Traditional Name: carboxy-[2-(4-methylpyrazol-1-yl)-5-nitro-benzyl]carbamic acid Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])CN(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CN(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])CN(C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N4O6/c1-8-5-14-16(6-8)11-3-2-10(17(22)23)4-9(11)7-15(12(18)19)13(20)21/h2-6H,7H2,1H3,(H,18,19)(H,20,21)