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

Systemtic Name: 4-nitro-2-[[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]methyl]phenolate Openeye Name: 2-[[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]methyl]phenolate IUPAC Name: 2-[[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C20H17N4O4- MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H18N4O4/c25-19-8-7-18(24(27)28)10-17(19)12-21-20(26)9-6-16-11-22-23(14-16)13-15-4-2-1-3-5-15/h1-11,14,25H,12-13H2,(H,21,26)/p-1/b9-6+