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

Systemtic Name: 2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H14N4O4/c18-7-11-16(9-3-1-2-4-12(9)20-17(11)19)10-5-14-15(25-8-24-14)6-13(10)21(22)23/h5-6H,1-4,8H2,(H2,19,20)