(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-azanyl-4-nitro-benzoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-azanyl-4-nitro-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C14H10N4O5S MolecularWeight: 346.318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)OCC2=CC(=O)N3C=CSC3=N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)OCC2=CC(=O)N3C=CSC3=N2

InChI

InChI=1S/C14H10N4O5S/c15-11-6-9(18(21)22)1-2-10(11)13(20)23-7-8-5-12(19)17-3-4-24-14(17)16-8/h1-6H,7,15H2