4-nitro-2-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenolate Openeye Name: 4-nitro-2-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[(E)-3-phenylacryloyl]amino]methyl]phenolate Formula: C16H13N2O4- MolecularWeight: 297.28542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N2O4/c19-15-8-7-14(18(21)22)10-13(15)11-17-16(20)9-6-12-4-2-1-3-5-12/h1-10,19H,11H2,(H,17,20)/p-1/b9-6+