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

Systemtic Name: 4-chloranyl-2-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-nitro-6-[(2-p-phenetyl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Formula: C22H15ClN3O5- MolecularWeight: 436.8246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O5/c1-2-30-17-6-3-13(4-7-17)22-25-18-11-16(5-8-20(18)31-22)24-12-14-9-15(23)10-19(21(14)27)26(28)29/h3-12,27H,2H2,1H3/p-1