(2Z)-2-[(3-nitrophenyl)methylidene]tridec-12-enoic acid

Systemtic Name: (2Z)-2-[(3-nitrophenyl)methylidene]tridec-12-enoic acid Openeye Name: (2Z)-2-[(3-nitrophenyl)methylene]tridec-12-enoic acid CAS Name: (2Z)-2-[(3-nitrophenyl)methylidene]-12-tridecenoic acid IUPAC Name: (2Z)-2-[(3-nitrophenyl)methylidene]tridec-12-enoic acid Traditional Name: (2Z)-2-(3-nitrobenzylidene)tridec-12-enoic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-10-13-18(20(22)23)15-17-12-11-14-19(16-17)21(24)25/h2,11-12,14-16H,1,3-10,13H2,(H,22,23)/b18-15-