4-[[3-chloranyl-4-[methyl-(phenylmethyl)amino]phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-[methyl-(phenylmethyl)amino]phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[4-[benzyl(methyl)amino]-3-chloro-anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[methyl-(phenylmethyl)amino]anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[4-[benzyl(methyl)amino]-3-chloroanilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[4-[benzyl(methyl)amino]-3-chloro-anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C26H22ClN5O3 MolecularWeight: 487.93758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)N(C)CC4=CC=CC=C4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)N(C)CC4=CC=CC=C4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClN5O3/c1-3-35-25-13-22-20(12-24(25)32(33)34)26(18(14-28)15-29-22)30-19-9-10-23(21(27)11-19)31(2)16-17-7-5-4-6-8-17/h4-13,15H,3,16H2,1-2H3,(H,29,30)