(2-azanyl-5H-indeno[1,2-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-azanyl-5H-indeno[1,2-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate Openeye Name: (2-amino-5H-indeno[1,2-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-amino-5H-indeno[1,2-d]pyrimidin-4-yl) ester IUPAC Name: (2-amino-5H-indeno[1,2-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-amino-5H-indeno[1,2-d]pyrimidin-4-yl) ester Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1C(=NC(=N3)N)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C3=C1C(=NC(=N3)N)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S/c18-17-19-15-13-4-2-1-3-10(13)9-14(15)16(20-17)26-27(24,25)12-7-5-11(6-8-12)21(22)23/h1-8H,9H2,(H2,18,19,20)