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

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C23H18N3O5- MolecularWeight: 416.40612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4O3)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4O3)[O-]

InChI

InChI=1S/C23H19N3O5/c1-3-30-21-12-16(26(28)29)11-15(22(21)27)13-24-18-9-6-7-17(14(18)2)23-25-19-8-4-5-10-20(19)31-23/h4-13,27H,3H2,1-2H3/p-1