2-[(E)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)ethenyl]benzo[e][1,3]benzothiazole

Systemtic Name: 2-[(E)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)ethenyl]benzo[e][1,3]benzothiazole Openeye Name: 2-[(E)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)vinyl]benzo[e][1,3]benzothiazole CAS Name: 2-[(E)-2-[3-nitro-4-(1-pyrrolidinyl)phenyl]ethenyl]benzo[e][1,3]benzothiazole IUPAC Name: 2-[(E)-2-(3-nitro-4-pyrrolidin-1-ylphenyl)ethenyl]benzo[e][1,3]benzothiazole Traditional Name: 2-[(E)-2-(3-nitro-4-pyrrolidino-phenyl)vinyl]benzo[e][1,3]benzothiazole Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=CC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=C/C3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O2S/c27-26(28)20-15-16(7-10-19(20)25-13-3-4-14-25)8-12-22-24-23-18-6-2-1-5-17(18)9-11-21(23)29-22/h1-2,5-12,15H,3-4,13-14H2/b12-8+