N-(2-nitroethyl)-2-sulfanyl-benzamide

Systemtic Name: N-(2-nitroethyl)-2-sulfanyl-benzamide Openeye Name: N-(2-nitroethyl)-2-sulfanyl-benzamide CAS Name: 2-mercapto-N-(2-nitroethyl)benzamide IUPAC Name: N-(2-nitroethyl)-2-sulfanylbenzamide Traditional Name: 2-mercapto-N-(2-nitroethyl)benzamide Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC[N+](=O)[O-])S

InChI

InChI=1S/C9H10N2O3S/c12-9(10-5-6-11(13)14)7-3-1-2-4-8(7)15/h1-4,15H,5-6H2,(H,10,12)