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

Systemtic Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]iminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]iminomethyl]-4-chloro-6-nitro-phenolate Formula: C21H13ClN3O5- MolecularWeight: 422.79802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClN3O5/c1-29-18-7-6-12(21-24-15-4-2-3-5-19(15)30-21)9-16(18)23-11-13-8-14(22)10-17(20(13)26)25(27)28/h2-11,26H,1H3/p-1