2-[2-methoxy-4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenoxy]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenoxy]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-methoxy-4-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]phenoxy]-5-nitro-benzonitrile CAS Name: 2-[2-methoxy-4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenoxy]-5-nitrobenzonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenoxy]-5-nitrobenzonitrile Traditional Name: 2-[4-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]-2-methoxy-phenoxy]-5-nitro-benzonitrile Formula: C23H14N2O5S MolecularWeight: 430.43266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3S2)OC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)C3=CC=CC=C3S2)OC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H14N2O5S/c1-29-20-10-14(11-22-23(26)17-4-2-3-5-21(17)31-22)6-8-19(20)30-18-9-7-16(25(27)28)12-15(18)13-24/h2-12H,1H3/b22-11+