methyl (2S)-2-[[5-acetamido-2-chloranyl-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[5-acetamido-2-chloranyl-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]propanoate Openeye Name: methyl (2S)-2-[5-acetamido-2-chloro-4-(2-cyano-4-nitro-phenyl)azo-anilino]propanoate CAS Name: (2S)-2-[5-acetamido-2-chloro-4-(2-cyano-4-nitrophenyl)azoanilino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[5-acetamido-2-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate Traditional Name: (2S)-2-[5-acetamido-2-chloro-4-(2-cyano-4-nitro-phenyl)azo-anilino]propionic acid methyl ester Formula: C19H17ClN6O5 MolecularWeight: 444.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C[C@@H](C(=O)OC)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C19H17ClN6O5/c1-10(19(28)31-3)22-16-8-17(23-11(2)27)18(7-14(16)20)25-24-15-5-4-13(26(29)30)6-12(15)9-21/h4-8,10,22H,1-3H3,(H,23,27)/t10-/m0/s1