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

Systemtic Name: 2-[(4-acetamidophenyl)iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[(4-acetamidophenyl)iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[(4-acetamidophenyl)iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[(4-acetamidophenyl)iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[(4-acetamidophenyl)iminomethyl]-4-methyl-6-nitro-phenolate Formula: C16H14N3O4- MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)NC(=O)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)NC(=O)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4/c1-10-7-12(16(21)15(8-10)19(22)23)9-17-13-3-5-14(6-4-13)18-11(2)20/h3-9,21H,1-2H3,(H,18,20)/p-1