(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H10N4O5S MolecularWeight: 346.318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-])N

InChI

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