4-nitro-2-[[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate Openeye Name: 4-nitro-2-[[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]methyl]phenolate Formula: C16H17N4O4- MolecularWeight: 329.33058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H18N4O4/c1-10-14(11(2)19(3)18-10)5-7-16(22)17-9-12-8-13(20(23)24)4-6-15(12)21/h4-8,21H,9H2,1-3H3,(H,17,22)/p-1/b7-5+