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

Systemtic Name: 2-[2-cyanoethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3