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

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]iminomethyl]-4-nitro-phenolate Formula: C20H11ClN3O4- MolecularWeight: 392.77204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C20H12ClN3O4/c21-16-7-5-13(22-11-12-9-14(24(26)27)6-8-18(12)25)10-15(16)20-23-17-3-1-2-4-19(17)28-20/h1-11,25H/p-1