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

Systemtic Name: 6-azanyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[(E)-3-(2-nitrophenyl)acryloyl]amino]hexanoic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5/c16-10-4-3-6-12(15(20)21)17-14(19)9-8-11-5-1-2-7-13(11)18(22)23/h1-2,5,7-9,12H,3-4,6,10,16H2,(H,17,19)(H,20,21)/b9-8+