2-[(3-acetamidophenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[(3-acetamidophenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-[(3-acetamidophenyl)iminomethyl]-4-benzyl-6-nitro-phenolate CAS Name: 2-[(3-acetamidophenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-[(3-acetamidophenyl)iminomethyl]-4-benzyl-6-nitrophenolate Traditional Name: 2-[(3-acetamidophenyl)iminomethyl]-4-benzyl-6-nitro-phenolate Formula: C22H18N3O4- MolecularWeight: 388.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-15(26)24-20-9-5-8-19(13-20)23-14-18-11-17(10-16-6-3-2-4-7-16)12-21(22(18)27)25(28)29/h2-9,11-14,27H,10H2,1H3,(H,24,26)/p-1