methyl 3-[ethyl-[4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]propanoate

Systemtic Name: methyl 3-[ethyl-[4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]propanoate Openeye Name: methyl 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]propanoate CAS Name: 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]propanoate Traditional Name: 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]propionic acid methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

Isomeric SMILES

CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-3-23(11-10-18(25)28-2)14-6-4-13(5-7-14)20-21-19-16-12-15(24(26)27)8-9-17(16)22-29-19/h4-9,12H,3,10-11H2,1-2H3