4-[[3-chloranyl-4-(pyridin-3-ylmethylamino)phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(pyridin-3-ylmethylamino)phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(3-pyridylmethylamino)anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(3-pyridinylmethylamino)anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(pyridin-3-ylmethylamino)anilino]-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(3-pyridylmethylamino)anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C23H17ClN6O3 MolecularWeight: 460.87248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)NCC4=CN=CC=C4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)NCC4=CN=CC=C4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN6O3/c1-33-22-9-20-17(8-21(22)30(31)32)23(15(10-25)13-28-20)29-16-4-5-19(18(24)7-16)27-12-14-3-2-6-26-11-14/h2-9,11,13,27H,12H2,1H3,(H,28,29)