4-[[2-[[2,5-bis(chloranyl)phenyl]diazenyl]-5-(diethylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[[2,5-bis(chloranyl)phenyl]diazenyl]-5-(diethylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(2,5-dichlorophenyl)azo-5-(diethylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-(2,5-dichlorophenyl)azo-5-(diethylamino)anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(2,5-dichlorophenyl)diazenyl]-5-(diethylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-[2-(2,5-dichlorophenyl)azo-5-(diethylamino)anilino]-4-keto-butyric acid Formula: C20H22Cl2N4O3 MolecularWeight: 437.31968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)Cl)Cl)NC(=O)CCC(=O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)Cl)Cl)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H22Cl2N4O3/c1-3-26(4-2)14-6-8-16(18(12-14)23-19(27)9-10-20(28)29)24-25-17-11-13(21)5-7-15(17)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,27)(H,28,29)