2-[[4-(dimethylaminodiazenyl)phenoxy]carbonylamino]-3-(4-nitro-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[[4-(dimethylaminodiazenyl)phenoxy]carbonylamino]-3-(4-nitro-2-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[[4-(dimethylaminoazo)phenoxy]carbonylamino]-3-(2-hydroxy-4-nitro-phenyl)propanoic acid CAS Name: 2-[[[4-(dimethylaminoazo)phenoxy]-oxomethyl]amino]-3-(2-hydroxy-4-nitrophenyl)propanoic acid IUPAC Name: 2-[[4-(dimethylaminodiazenyl)phenoxy]carbonylamino]-3-(2-hydroxy-4-nitrophenyl)propanoic acid Traditional Name: 2-[[4-(dimethylaminoazo)phenoxy]carbonylamino]-3-(2-hydroxy-4-nitro-phenyl)propionic acid Formula: C18H19N5O7 MolecularWeight: 417.37276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N=NC1=CC=C(C=C1)OC(=O)NC(CC2=C(C=C(C=C2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CN(C)N=NC1=CC=C(C=C1)OC(=O)NC(CC2=C(C=C(C=C2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C18H19N5O7/c1-22(2)21-20-12-4-7-14(8-5-12)30-18(27)19-15(17(25)26)9-11-3-6-13(23(28)29)10-16(11)24/h3-8,10,15,24H,9H2,1-2H3,(H,19,27)(H,25,26)