4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-3-nitro-benzonitrile Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-12(2)19(14-4-6-17-18(10-14)26-8-7-25-17)21-15-5-3-13(11-20)9-16(15)22(23)24/h3-6,9-10,12,19,21H,7-8H2,1-2H3