2-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C21H13ClN3O4- MolecularWeight: 406.79862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4/c1-12-8-13(20(26)18(9-12)25(27)28)11-23-14-6-7-16(22)15(10-14)21-24-17-4-2-3-5-19(17)29-21/h2-11,26H,1H3/p-1