2-[ethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl benzoate

Systemtic Name: 2-[ethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl benzoate Openeye Name: 2-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester IUPAC Name: 2-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O4S/c1-2-28(14-15-33-23(30)17-6-4-3-5-7-17)19-10-8-18(9-11-19)26-27-24-25-21-13-12-20(29(31)32)16-22(21)34-24/h3-13,16H,2,14-15H2,1H3