methyl 3-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-(propanoylamino)phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-(propanoylamino)phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(3-methoxy-3-oxo-propyl)-3-(propanoylamino)anilino]propanoate CAS Name: 3-[4-(2-chloro-4-nitrophenyl)azo-N-(3-methoxy-3-oxopropyl)-3-(1-oxopropylamino)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)-3-(propanoylamino)anilino]propanoate Traditional Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(3-keto-3-methoxy-propyl)-3-propionamido-anilino]propionic acid methyl ester Formula: C23H26ClN5O7 MolecularWeight: 519.93484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O7/c1-4-21(30)25-20-14-15(28(11-9-22(31)35-2)12-10-23(32)36-3)5-8-19(20)27-26-18-7-6-16(29(33)34)13-17(18)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)