4-methyl-2-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-methyl-2-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-methyl-2-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-methyl-2-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-methyl-2-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[3-(isobutyrylamino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C18H18N3O4- MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-11(2)18(23)20-15-6-4-5-14(9-15)19-10-13-7-12(3)8-16(17(13)22)21(24)25/h4-11,22H,1-3H3,(H,20,23)/p-1