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

Systemtic Name: (2S,4R)-2-azanyl-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]pentanedioic acid Openeye Name: (2S,4R)-2-amino-4-[(E)-3-(4-nitrophenyl)allyl]pentanedioic acid CAS Name: (2S,4R)-2-amino-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]pentanedioic acid IUPAC Name: (2S,4R)-2-amino-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]pentanedioic acid Traditional Name: (2S,4R)-2-amino-4-[(E)-3-(4-nitrophenyl)allyl]glutaric acid Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCC(CC(C(=O)O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6/c15-12(14(19)20)8-10(13(17)18)3-1-2-9-4-6-11(7-5-9)16(21)22/h1-2,4-7,10,12H,3,8,15H2,(H,17,18)(H,19,20)/b2-1+/t10-,12+/m1/s1