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

Systemtic Name: 2-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 2-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 2-[[2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 2-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 2-[[2-benzamido-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C20H18N3O6- MolecularWeight: 396.37342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)[O-])NC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19N3O6/c1-2-16(20(26)27)21-19(25)17(22-18(24)14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)23(28)29/h3-12,16H,2H2,1H3,(H,21,25)(H,22,24)(H,26,27)/p-1