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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-9(7-13(17)18)14-12(16)6-5-10-3-2-4-11(8-10)15(19)20/h2-6,8-9H,7H2,1H3,(H,14,16)(H,17,18)/b6-5+