2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazono)methyl]-4-benzyl-6-nitro-phenolate CAS Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-benzyl-6-nitrophenolate Traditional Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazono)methyl]-4-benzyl-6-nitro-phenolate Formula: C21H15N4O3S- MolecularWeight: 403.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NNC3=NC4=CC=CC=C4S3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)/C=N\NC3=NC4=CC=CC=C4S3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-20-16(13-22-24-21-23-17-8-4-5-9-19(17)29-21)11-15(12-18(20)25(27)28)10-14-6-2-1-3-7-14/h1-9,11-13,26H,10H2,(H,23,24)/p-1/b22-13-