2-nitro-6-[[3-(2-oxidanylidenechromen-3-yl)phenyl]iminomethyl]-4-(phenylmethyl)phenolate

Systemtic Name: 2-nitro-6-[[3-(2-oxidanylidenechromen-3-yl)phenyl]iminomethyl]-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-nitro-6-[[3-(2-oxochromen-3-yl)phenyl]iminomethyl]phenolate CAS Name: 2-nitro-6-[[3-(2-oxo-1-benzopyran-3-yl)phenyl]iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-nitro-6-[[3-(2-oxochromen-3-yl)phenyl]iminomethyl]phenolate Traditional Name: 4-benzyl-2-[[3-(2-ketochromen-3-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C29H19N2O5- MolecularWeight: 475.47156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H20N2O5/c32-28-23(14-20(15-26(28)31(34)35)13-19-7-2-1-3-8-19)18-30-24-11-6-10-21(16-24)25-17-22-9-4-5-12-27(22)36-29(25)33/h1-12,14-18,32H,13H2/p-1