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

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

C1=CC=C(C=C1)C(=O)NC(=CNC2=C(C=CC=N2)[N+](=O)[O-])C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\NC2=C(C=CC=N2)[N+](=O)[O-])/C(=O)NCCC(=O)O

InChI

InChI=1S/C18H17N5O6/c24-15(25)8-10-20-18(27)13(22-17(26)12-5-2-1-3-6-12)11-21-16-14(23(28)29)7-4-9-19-16/h1-7,9,11H,8,10H2,(H,19,21)(H,20,27)(H,22,26)(H,24,25)/b13-11-