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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4O3

InChI

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