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

Systemtic Name: 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(4-nitrophenyl)acryloyl]amino]butyric acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c16-12(14-9-1-2-13(17)18)8-5-10-3-6-11(7-4-10)15(19)20/h3-8H,1-2,9H2,(H,14,16)(H,17,18)/b8-5+