3-[2-(4-nitropyrazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(4-nitropyrazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoic acid Formula: C12H10N4O5 MolecularWeight: 290.2316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O5/c17-11(7-15-6-10(5-13-15)16(20)21)14-9-3-1-2-8(4-9)12(18)19/h1-6H,7H2,(H,14,17)(H,18,19)