4-nitro-2-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate Openeye Name: 4-nitro-2-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]methyl]phenolate Formula: C19H15N4O4- MolecularWeight: 363.3468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H16N4O4/c24-18-8-7-17(23(26)27)10-15(18)12-20-19(25)9-6-14-11-21-22(13-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,20,25)/p-1/b9-6+