N-[[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[5-(2-methoxy-4-nitrophenyl)-2-furanyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H14N4O7S MolecularWeight: 466.42346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O7S/c1-31-18-10-14(25(29)30)2-5-16(18)17-6-4-15(32-17)11-22-23-21(26)20-9-12-8-13(24(27)28)3-7-19(12)33-20/h2-11H,1H3,(H,23,26)