2-[1-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O4/c1-10(11-2-5-15-16(7-11)23-9-22-15)18-14-4-3-13(19(20)21)6-12(14)8-17/h2-7,10,18H,9H2,1H3