butyl 2-[[3-acetamido-4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]amino]-2-methyl-propanoate

Systemtic Name: butyl 2-[[3-acetamido-4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]amino]-2-methyl-propanoate Openeye Name: butyl 2-[3-acetamido-4-(2-chloro-4-nitro-phenyl)azo-anilino]-2-methyl-propanoate CAS Name: 2-[3-acetamido-4-(2-chloro-4-nitrophenyl)azoanilino]-2-methylpropanoic acid butyl ester IUPAC Name: butyl 2-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]-2-methylpropanoate Traditional Name: 2-[3-acetamido-4-(2-chloro-4-nitro-phenyl)azo-anilino]-2-methyl-propionic acid butyl ester Formula: C22H26ClN5O5 MolecularWeight: 475.92534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O5/c1-5-6-11-33-21(30)22(3,4)25-15-7-9-19(20(12-15)24-14(2)29)27-26-18-10-8-16(28(31)32)13-17(18)23/h7-10,12-13,25H,5-6,11H2,1-4H3,(H,24,29)