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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[O-]

InChI

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