2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C(=C(C(=N2)N)C#N)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C(=C(C(=N2)N)C#N)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C23H18N4O4/c24-11-17-22(16-9-20-21(31-12-30-20)10-19(16)27(28)29)15-8-14(13-4-2-1-3-5-13)6-7-18(15)26-23(17)25/h1-5,9-10,14H,6-8,12H2,(H2,25,26)