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

Systemtic Name: 2-ethoxy-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-ethoxy-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-ethoxy-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-ethoxy-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-ethoxy-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C23H18N3O4S- MolecularWeight: 432.47172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[O-]

InChI

InChI=1S/C23H19N3O4S/c1-3-30-20-12-18(26(28)29)11-16(22(20)27)13-24-17-7-5-15(6-8-17)23-25-19-9-4-14(2)10-21(19)31-23/h4-13,27H,3H2,1-2H3/p-1