4-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(o-veratrylamino)ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-26-14-5-3-4-12(17(14)27-2)9-20-16(22)10-28-15-7-6-11(18(19)23)8-13(15)21(24)25/h3-8H,9-10H2,1-2H3,(H2,19,23)(H,20,22)