2-azanyl-5-[[3-(2-carboxyethyloxy)-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-(2-carboxyethyloxy)-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[3-(2-carboxyethyloxy)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[3-(2-carboxyethyloxy)-4-(2-cyano-4-nitrophenyl)azoanilino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[3-(2-carboxyethyloxy)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[3-(2-carboxyethyloxy)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-5-keto-valeric acid Formula: C21H20N6O8 MolecularWeight: 484.4189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)OCCC(=O)O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)OCCC(=O)O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H20N6O8/c22-11-12-9-14(27(33)34)2-5-16(12)25-26-17-4-1-13(10-18(17)35-8-7-20(29)30)24-19(28)6-3-15(23)21(31)32/h1-2,4-5,9-10,15H,3,6-8,23H2,(H,24,28)(H,29,30)(H,31,32)