2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid Openeye Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid CAS Name: 2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]pentanedioic acid IUPAC Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]glutaric acid Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7/c17-12(15-11(14(20)21)6-8-13(18)19)7-3-9-1-4-10(5-2-9)16(22)23/h1-5,7,11H,6,8H2,(H,15,17)(H,18,19)(H,20,21)/b7-3+