N-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(4-methoxyphenyl)-2-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-29-18-7-4-15(5-8-18)24-10-2-3-17(24)13-22-23-21(26)20-12-14-11-16(25(27)28)6-9-19(14)30-20/h2-13H,1H3,(H,23,26)