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

Systemtic Name: 2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]-3-methyl-butyric acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-13(2)18(21(27)28)23-20(26)17(22-19(25)15-8-4-3-5-9-15)12-14-7-6-10-16(11-14)24(29)30/h3-13,18H,1-2H3,(H,22,25)(H,23,26)(H,27,28)/b17-12-