4-[[(E)-2-(furan-2-ylcarbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-2-(furan-2-ylcarbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-2-[[2-furanyl(oxo)methyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-2-(2-furoylamino)-3-(3-nitrophenyl)acryloyl]amino]butyric acid Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7/c22-16(23)7-2-8-19-17(24)14(20-18(25)15-6-3-9-28-15)11-12-4-1-5-13(10-12)21(26)27/h1,3-6,9-11H,2,7-8H2,(H,19,24)(H,20,25)(H,22,23)/b14-11+