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

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-chloranyl-3,5-dimethyl-6-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitro-phenolate CAS Name: 2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitrophenolate Traditional Name: 2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitro-phenolate Formula: C22H15ClN3O4- MolecularWeight: 420.8252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])[O-])C=NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])[O-])C=NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H16ClN3O4/c1-12-16(21(27)20(26(28)29)13(2)19(12)23)11-24-15-7-5-6-14(10-15)22-25-17-8-3-4-9-18(17)30-22/h3-11,27H,1-2H3/p-1