6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(2-nitrophenyl)acryloyl]amino]hexanoic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c18-14(16-11-5-1-2-8-15(19)20)10-9-12-6-3-4-7-13(12)17(21)22/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,16,18)(H,19,20)/b10-9+