2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-nicotinonitrile Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4/c1-12(2)18(13-4-5-16-17(9-13)27-7-3-6-26-16)22-19-14(10-20)8-15(11-21-19)23(24)25/h4-5,8-9,11-12,18H,3,6-7H2,1-2H3,(H,21,22)