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

Systemtic Name: 2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-5-nitro-benzonitrile Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H21N3O4/c1-13(2)20(14-4-7-18-19(11-14)27-9-3-8-26-18)22-17-6-5-16(23(24)25)10-15(17)12-21/h4-7,10-11,13,20,22H,3,8-9H2,1-2H3/t20-/m1/s1