N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-methoxy-benzamide

Systemtic Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-methoxy-benzamide Openeye Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]-4-methoxy-benzamide CAS Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-4-methoxybenzamide IUPAC Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]-4-methoxybenzamide Traditional Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]-4-methoxy-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-25-14-5-3-13(4-6-14)17(22)19-18-11-12-2-7-16(26-9-8-21)15(10-12)20(23)24/h2-7,10-11,21H,8-9H2,1H3,(H,19,22)/b18-11+