sodium (2S,4R)-2-azanyl-4-[(E)-3-(4-phenyldiazenylphenyl)prop-2-enyl]pentanedioic acid

Systemtic Name: sodium (2S,4R)-2-azanyl-4-[(E)-3-(4-phenyldiazenylphenyl)prop-2-enyl]pentanedioic acid Openeye Name: sodium (2S,4R)-2-amino-4-[(E)-3-(4-phenylazophenyl)allyl]pentanedioic acid CAS Name: sodium (2S,4R)-2-amino-4-[(E)-3-(4-phenyldiazenylphenyl)prop-2-enyl]pentanedioic acid IUPAC Name: sodium (2S,4R)-2-amino-4-[(E)-3-(4-phenyldiazenylphenyl)prop-2-enyl]pentanedioic acid Traditional Name: sodium (2S,4R)-2-amino-4-[(E)-3-(4-phenylazophenyl)allyl]glutaric acid Formula: C20H21N3NaO4+ MolecularWeight: 390.38821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C=CCC(CC(C(=O)O)N)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O.[Na+]

InChI

InChI=1S/C20H21N3O4.Na/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16;/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27);/q;+1/b5-4+,23-22?;/t15-,18+;/m1./s1