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

Systemtic Name: methyl 3-[[5-acetamido-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]amino]propanoate Openeye Name: methyl 3-[5-acetamido-2-methyl-4-(5-nitrothiazol-2-yl)azo-anilino]propanoate CAS Name: 3-[5-acetamido-2-methyl-4-[(5-nitro-2-thiazolyl)azo]anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-acetamido-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propanoate Traditional Name: 3-[5-acetamido-2-methyl-4-(5-nitrothiazol-2-yl)azo-anilino]propionic acid methyl ester Formula: C16H18N6O5S MolecularWeight: 406.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NCCC(=O)OC)NC(=O)C)N=NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NCCC(=O)OC)NC(=O)C)N=NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O5S/c1-9-6-13(20-21-16-18-8-14(28-16)22(25)26)12(19-10(2)23)7-11(9)17-5-4-15(24)27-3/h6-8,17H,4-5H2,1-3H3,(H,19,23)