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

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]-3-phenyl-propionic acid Formula: C24H21N5O6 MolecularWeight: 475.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=CNC2=C(C=CC=N2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/NC2=C(C=CC=N2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H21N5O6/c30-22(17-10-5-2-6-11-17)28-19(15-26-21-20(29(34)35)12-7-13-25-21)23(31)27-18(24(32)33)14-16-8-3-1-4-9-16/h1-13,15,18H,14H2,(H,25,26)(H,27,31)(H,28,30)(H,32,33)/b19-15-