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

Systemtic Name: 6-[[(E)-2-(furan-2-ylcarbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-2-[[2-furanyl(oxo)methyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-2-(2-furoylamino)-3-(3-nitrophenyl)acryloyl]amino]hexanoic acid Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C(=O)NCCCCCC(=O)O)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)C2=CC=CO2

InChI

InChI=1S/C20H21N3O7/c24-18(25)9-2-1-3-10-21-19(26)16(22-20(27)17-8-5-11-30-17)13-14-6-4-7-15(12-14)23(28)29/h4-8,11-13H,1-3,9-10H2,(H,21,26)(H,22,27)(H,24,25)/b16-13+