[(Z)-(2-sulfanylethylamino)methylideneamino]methyl 4-nitrobenzoate

Systemtic Name: [(Z)-(2-sulfanylethylamino)methylideneamino]methyl 4-nitrobenzoate Openeye Name: [(Z)-(2-sulfanylethylamino)methyleneamino]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-(2-mercaptoethylamino)methylideneamino]methyl ester IUPAC Name: [(Z)-(2-sulfanylethylamino)methylideneamino]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-(2-mercaptoethylamino)methyleneamino]methyl ester Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCN=CNCCS)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC/N=C\NCCS)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S/c15-11(18-8-13-7-12-5-6-19)9-1-3-10(4-2-9)14(16)17/h1-4,7,19H,5-6,8H2,(H,12,13)