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

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]pentanedioic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]pentanedioic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]pentanedioic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]pentanedioic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]glutaric acid Formula: C20H19N5O8 MolecularWeight: 457.39356

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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(CCC(=O)O)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(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H19N5O8/c26-16(27)9-8-13(20(30)31)23-19(29)14(24-18(28)12-5-2-1-3-6-12)11-22-17-15(25(32)33)7-4-10-21-17/h1-7,10-11,13H,8-9H2,(H,21,22)(H,23,29)(H,24,28)(H,26,27)(H,30,31)/b14-11-