4-(8-azanyl-5-nitro-quinolin-6-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(8-azanyl-5-nitro-quinolin-6-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-[(8-amino-5-nitro-6-quinolyl)sulfonyl]benzonitrile CAS Name: 4-[(8-amino-5-nitro-6-quinolinyl)sulfonyl]benzonitrile IUPAC Name: 4-(8-amino-5-nitroquinolin-6-yl)sulfonylbenzonitrile Traditional Name: 4-[(8-amino-5-nitro-6-quinolyl)sulfonyl]benzonitrile Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC(=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C#N)N)N=C1

Isomeric SMILES

C1=CC2=C(C(=CC(=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C#N)N)N=C1

InChI

InChI=1S/C16H10N4O4S/c17-9-10-3-5-11(6-4-10)25(23,24)14-8-13(18)15-12(2-1-7-19-15)16(14)20(21)22/h1-8H,18H2