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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C21H14N3O3S- MolecularWeight: 388.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C21H15N3O3S/c1-13-10-17(24(26)27)11-15(20(13)25)12-22-16-8-6-14(7-9-16)21-23-18-4-2-3-5-19(18)28-21/h2-12,25H,1H3/p-1