N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)benzylidene]amino]-5-nitro-benzothiophene-2-carboxamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC(=O)N

InChI

InChI=1S/C18H14N4O5S/c19-17(23)10-27-14-4-1-11(2-5-14)9-20-21-18(24)16-8-12-7-13(22(25)26)3-6-15(12)28-16/h1-9H,10H2,(H2,19,23)(H,21,24)