4-(3-ethoxypropylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-ethoxypropylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3-ethoxypropylamino)-3-nitro-benzonitrile CAS Name: 4-(3-ethoxypropylamino)-3-nitrobenzonitrile IUPAC Name: 4-(3-ethoxypropylamino)-3-nitrobenzonitrile Traditional Name: 4-(3-ethoxypropylamino)-3-nitro-benzonitrile Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3/c1-2-18-7-3-6-14-11-5-4-10(9-13)8-12(11)15(16)17/h4-5,8,14H,2-3,6-7H2,1H3