3-[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[(4-methyl-3,5-dinitroanilino)-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(4-methyl-3,5-dinitrophenyl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazol-1-yl]propionic acid Formula: C14H13N5O7 MolecularWeight: 363.28232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=NN2CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=NN2CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O7/c1-8-11(18(23)24)6-9(7-12(8)19(25)26)16-14(22)10-2-4-15-17(10)5-3-13(20)21/h2,4,6-7H,3,5H2,1H3,(H,16,22)(H,20,21)