2-[3-[(4-methyl-3,5-dinitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(4-methyl-3,5-dinitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-methyl-3,5-dinitro-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(4-methyl-3,5-dinitroanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-methyl-3,5-dinitroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(4-methyl-3,5-dinitro-anilino)propyl]pyrazole-3-carboxylic acid Formula: C14H13N5O7 MolecularWeight: 363.28232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

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