3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-4-methyl-benzoic acid Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N4O5/c1-8-4-5-11(15(21)22)6-12(8)16-13(20)7-18-10(3)14(19(23)24)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,20)(H,21,22)