4-[[3-chloranyl-4-(thiophen-2-ylmethoxy)phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(thiophen-2-ylmethoxy)phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(2-thienylmethoxy)anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(thiophen-2-ylmethoxy)anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(thiophen-2-ylmethoxy)anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(2-thenyloxy)anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CS4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CS4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O4S/c1-2-31-22-10-19-17(9-20(22)28(29)30)23(14(11-25)12-26-19)27-15-5-6-21(18(24)8-15)32-13-16-4-3-7-33-16/h3-10,12H,2,13H2,1H3,(H,26,27)