(E)-3-[3-[(5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(5-tert-butyl-2-methyl-4-nitro-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[(5-tert-butyl-2-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(5-tert-butyl-2-methyl-4-nitropyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(5-tert-butyl-2-methyl-4-nitro-pyrazole-3-carbonyl)amino]phenyl]acrylic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C=CC(=O)O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O)C

InChI

InChI=1S/C18H20N4O5/c1-18(2,3)16-14(22(26)27)15(21(4)20-16)17(25)19-12-7-5-6-11(10-12)8-9-13(23)24/h5-10H,1-4H3,(H,19,25)(H,23,24)/b9-8+