(4R)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4R)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4R)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4R)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4R)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4R)-5-keto-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CCC2

InChI

InChI=1S/C18H15N3O5/c1-9-11(7-19)17(18-12(20-9)3-2-4-14(18)22)10-5-15-16(26-8-25-15)6-13(10)21(23)24/h5-6,11,17H,2-4,8H2,1H3/t11?,17-/m0/s1