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

Systemtic Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C13H13N2O5- MolecularWeight: 277.25272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c16-12(14-8-2-5-13(17)18)7-6-10-3-1-4-11(9-10)15(19)20/h1,3-4,6-7,9H,2,5,8H2,(H,14,16)(H,17,18)/p-1/b7-6+