(4-nitrophenyl)methyl 3-[(3-azanyl-2-oxidanylidene-azetidin-3-yl)amino]-3-oxidanylidene-2-thiophen-3-yl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-[(3-azanyl-2-oxidanylidene-azetidin-3-yl)amino]-3-oxidanylidene-2-thiophen-3-yl-propanoate Openeye Name: (4-nitrophenyl)methyl 3-[(3-amino-2-oxo-azetidin-3-yl)amino]-3-oxo-2-(3-thienyl)propanoate CAS Name: 3-[(3-amino-2-oxo-3-azetidinyl)amino]-3-oxo-2-(3-thiophenyl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(3-amino-2-oxoazetidin-3-yl)amino]-3-oxo-2-thiophen-3-ylpropanoate Traditional Name: 3-[(3-amino-2-keto-azetidin-3-yl)amino]-3-keto-2-(3-thienyl)propionic acid (4-nitrobenzyl) ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1)(N)NC(=O)C(C2=CSC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)N1)(N)NC(=O)C(C2=CSC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c18-17(9-19-16(17)24)20-14(22)13(11-5-6-28-8-11)15(23)27-7-10-1-3-12(4-2-10)21(25)26/h1-6,8,13H,7,9,18H2,(H,19,24)(H,20,22)