(2S)-1-[(Z)-2-benzamido-3-[(5-nitropyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-benzamido-3-[(5-nitropyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-benzamido-3-[(5-nitro-2-pyridyl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-benzamido-3-[(5-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-benzamido-3-[(5-nitropyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-benzamido-3-[(5-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=NC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C(=C/NC2=NC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19N5O6/c26-18(13-5-2-1-3-6-13)23-15(19(27)24-10-4-7-16(24)20(28)29)12-22-17-9-8-14(11-21-17)25(30)31/h1-3,5-6,8-9,11-12,16H,4,7,10H2,(H,21,22)(H,23,26)(H,28,29)/b15-12-/t16-/m0/s1