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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5/c16-9-2-1-6-13(15(20)21)17-14(19)8-7-11-4-3-5-12(10-11)18(22)23/h3-5,7-8,10,13H,1-2,6,9,16H2,(H,17,19)(H,20,21)/b8-7+