2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]propanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]propanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]propanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]propanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]propionic acid Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H17N5O6/c1-11(18(26)27)21-17(25)13(22-16(24)12-6-3-2-4-7-12)10-20-15-14(23(28)29)8-5-9-19-15/h2-11H,1H3,(H,19,20)(H,21,25)(H,22,24)(H,26,27)/b13-10-