4-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]-3-nitro-benzonitrile Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-3-22-13-15(26-19-7-5-4-6-17(19)22)12-21(2)16-9-8-14(11-20)10-18(16)23(24)25/h4-10,15H,3,12-13H2,1-2H3