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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7/c22-16(23)4-1-9-19-17(24)14(20-18(25)15-3-2-10-28-15)11-12-5-7-13(8-6-12)21(26)27/h2-3,5-8,10-11H,1,4,9H2,(H,19,24)(H,20,25)(H,22,23)/b14-11-