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

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]-3-hydroxy-propionic acid Formula: C18H17N5O7 MolecularWeight: 415.35688

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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)NC(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O7/c24-10-13(18(27)28)22-17(26)12(21-16(25)11-5-2-1-3-6-11)9-20-15-14(23(29)30)7-4-8-19-15/h1-9,13,24H,10H2,(H,19,20)(H,21,25)(H,22,26)(H,27,28)/b12-9-