2-[[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 2-[[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-(1-imidazolylmethyl)anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C22H17ClN6O3 MolecularWeight: 448.86178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=C(C=C3)CN4C=CN=C4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=C(C=C3)CN4C=CN=C4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN6O3/c1-2-32-21-10-19-15(8-20(21)29(30)31)7-16(11-24)22(27-19)26-17-4-3-14(18(23)9-17)12-28-6-5-25-13-28/h3-10,13H,2,12H2,1H3,(H,26,27)