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

Systemtic Name: 2-azanyl-5-[[3-(2-carboxyethyl)-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[3-(2-carboxyethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[3-(2-carboxyethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[3-(2-carboxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[3-(2-carboxyethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-5-keto-valeric acid Formula: C21H20N6O7 MolecularWeight: 468.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H20N6O7/c22-11-13-10-15(27(33)34)3-6-18(13)26-25-17-5-2-14(9-12(17)1-8-20(29)30)24-19(28)7-4-16(23)21(31)32/h2-3,5-6,9-10,16H,1,4,7-8,23H2,(H,24,28)(H,29,30)(H,31,32)