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

Systemtic Name: 2-azanyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H16N4O4/c1-9-2-3-13-10(4-9)17(12(7-19)18(20)21-13)11-5-15-16(26-8-25-15)6-14(11)22(23)24/h5-6,9H,2-4,8H2,1H3,(H2,20,21)