3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[(5-methyl-2-phenyl-3-pyrazolyl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[(5-methyl-2-phenylpyrazol-3-yl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoic acid Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O5/c1-11-7-16(21(20-11)14-5-3-2-4-6-14)19-17(23)12-8-13(18(24)25)10-15(9-12)22(26)27/h2-10H,1H3,(H,19,23)(H,24,25)