2-[[5-acetamido-4-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-hydroxyethyl)amino]ethyl ethanoate

Systemtic Name: 2-[[5-acetamido-4-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-hydroxyethyl)amino]ethyl ethanoate Openeye Name: 2-[5-acetamido-4-(2-chloro-4,6-dinitro-phenyl)azo-N-(2-hydroxyethyl)-2-methoxy-anilino]ethyl acetate CAS Name: acetic acid 2-[5-acetamido-4-(2-chloro-4,6-dinitrophenyl)azo-N-(2-hydroxyethyl)-2-methoxyanilino]ethyl ester IUPAC Name: 2-[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]ethyl acetate Traditional Name: acetic acid 2-[5-acetamido-4-(2-chloro-4,6-dinitro-phenyl)azo-N-(2-hydroxyethyl)-2-methoxy-anilino]ethyl ester Formula: C21H23ClN6O9 MolecularWeight: 538.89512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCO)CCOC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCO)CCOC(=O)C

InChI

InChI=1S/C21H23ClN6O9/c1-12(30)23-16-10-18(26(4-6-29)5-7-37-13(2)31)20(36-3)11-17(16)24-25-21-15(22)8-14(27(32)33)9-19(21)28(34)35/h8-11,29H,4-7H2,1-3H3,(H,23,30)