4-[3-azido-2-(4-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]benzoic acid

Systemtic Name: 4-[3-azido-2-(4-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]benzoic acid Openeye Name: 4-[3-azido-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]benzoic acid CAS Name: 4-[3-azido-2-(4-nitrophenyl)-4-oxo-1-azetidinyl]benzoic acid IUPAC Name: 4-[3-azido-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]benzoic acid Traditional Name: 4-[3-azido-2-keto-4-(4-nitrophenyl)azetidin-1-yl]benzoic acid Formula: C16H11N5O5 MolecularWeight: 353.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)C(=O)O)N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)C(=O)O)N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5/c17-19-18-13-14(9-1-7-12(8-2-9)21(25)26)20(15(13)22)11-5-3-10(4-6-11)16(23)24/h1-8,13-14H,(H,23,24)