5-nitro-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-nitro-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]pyridine-3-carbonitrile Openeye Name: 5-nitro-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]pyridine-3-carbonitrile CAS Name: 5-nitro-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)thio]-3-pyridinecarbonitrile IUPAC Name: 5-nitro-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(3-keto-4H-1,4-benzoxazin-6-yl)thio]-5-nitro-nicotinonitrile Formula: C14H8N4O4S MolecularWeight: 328.30272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)SC3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)SC3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H8N4O4S/c15-5-8-3-9(18(20)21)6-16-14(8)23-10-1-2-12-11(4-10)17-13(19)7-22-12/h1-4,6H,7H2,(H,17,19)