2-[(3,3-diphenylpropanoylamino)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(3,3-diphenylpropanoylamino)methyl]-4-nitro-phenolate Openeye Name: 2-[(3,3-diphenylpropanoylamino)methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[(1-oxo-3,3-diphenylpropyl)amino]methyl]phenolate IUPAC Name: 2-[(3,3-diphenylpropanoylamino)methyl]-4-nitrophenolate Traditional Name: 2-[(3,3-diphenylpropanoylamino)methyl]-4-nitro-phenolate Formula: C22H19N2O4- MolecularWeight: 375.39726

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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-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c25-21-12-11-19(24(27)28)13-18(21)15-23-22(26)14-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,20,25H,14-15H2,(H,23,26)/p-1