[4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]phenyl] ester IUPAC Name: [4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]phenyl] ester Formula: C29H17N3O4S2 MolecularWeight: 535.59298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H17N3O4S2/c33-29(19-6-5-7-20(17-19)32(34)35)36-21-14-12-18(13-15-21)16-22(27-30-23-8-1-3-10-25(23)37-27)28-31-24-9-2-4-11-26(24)38-28/h1-17H