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

Systemtic Name: 4-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[2-benzamido-3-(3-nitrophenyl)acryloyl]amino]butyric acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c24-18(25)10-5-11-21-20(27)17(22-19(26)15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)23(28)29/h1-4,6-9,12-13H,5,10-11H2,(H,21,27)(H,22,26)(H,24,25)