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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-benzyl-6-nitro-phenolate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-benzyl-6-nitrophenolate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-benzyl-6-nitro-phenolate Formula: C27H18N3O3S- MolecularWeight: 464.51512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O3S/c31-26-21(15-19(16-24(26)30(32)33)14-18-6-2-1-3-7-18)17-28-22-12-10-20(11-13-22)27-29-23-8-4-5-9-25(23)34-27/h1-13,15-17,31H,14H2/p-1