2-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate

Systemtic Name: 2-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C21H13ClN3O4- MolecularWeight: 406.79862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[O-])[N+](=O)[O-]

InChI

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