2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]-4-methyl-valeric acid Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(=CNC1=C(C=CC=N1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)/C(=C/NC1=C(C=CC=N1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N5O6/c1-13(2)11-15(21(29)30)24-20(28)16(25-19(27)14-7-4-3-5-8-14)12-23-18-17(26(31)32)9-6-10-22-18/h3-10,12-13,15H,11H2,1-2H3,(H,22,23)(H,24,28)(H,25,27)(H,29,30)/b16-12-