2,6-bis(3-methoxypropylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 2,6-bis(3-methoxypropylamino)-3-nitro-benzenecarbonitrile Openeye Name: 2,6-bis(3-methoxypropylamino)-3-nitro-benzonitrile CAS Name: 2,6-bis(3-methoxypropylamino)-3-nitrobenzonitrile IUPAC Name: 2,6-bis(3-methoxypropylamino)-3-nitrobenzonitrile Traditional Name: 2,6-bis(3-methoxypropylamino)-3-nitro-benzonitrile Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=C(C=C1)[N+](=O)[O-])NCCCOC)C#N

Isomeric SMILES

COCCCNC1=C(C(=C(C=C1)[N+](=O)[O-])NCCCOC)C#N

InChI

InChI=1S/C15H22N4O4/c1-22-9-3-7-17-13-5-6-14(19(20)21)15(12(13)11-16)18-8-4-10-23-2/h5-6,17-18H,3-4,7-10H2,1-2H3