4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-nitro-phenolate Formula: C19H11N2O3S- MolecularWeight: 347.36724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)/C=C/C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O3S/c22-16-8-5-12(11-15(16)21(23)24)6-10-18-20-19-14-4-2-1-3-13(14)7-9-17(19)25-18/h1-11,22H/p-1/b10-6+