N-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]benzylidene]amino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H15N5O7S MolecularWeight: 493.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O7S/c1-33-18-8-13(2-5-17(18)34-21-7-4-16(12-23-21)27(31)32)11-24-25-22(28)20-10-14-9-15(26(29)30)3-6-19(14)35-20/h2-12H,1H3,(H,25,28)