(2S)-1-[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]proline Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=CNC2=C(C=CC=N2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C(=C/NC2=C(C=CC=N2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19N5O6/c26-18(13-6-2-1-3-7-13)23-14(19(27)24-11-5-9-16(24)20(28)29)12-22-17-15(25(30)31)8-4-10-21-17/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,22)(H,23,26)(H,28,29)/b14-12-/t16-/m0/s1