(2-azanyl-9H-indeno[2,1-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-azanyl-9H-indeno[2,1-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate Openeye Name: (2-amino-9H-indeno[2,1-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-amino-9H-indeno[2,1-d]pyrimidin-4-yl) ester IUPAC Name: (2-amino-9H-indeno[2,1-d]pyrimidin-4-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-amino-9H-indeno[2,1-d]pyrimidin-4-yl) ester Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1N=C(N=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1C2=CC=CC=C2C3=C1N=C(N=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])N

InChI

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