3-nitro-4-(pentan-3-ylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(pentan-3-ylamino)benzenecarbonitrile Openeye Name: 4-(1-ethylpropylamino)-3-nitro-benzonitrile CAS Name: 3-nitro-4-(pentan-3-ylamino)benzonitrile IUPAC Name: 3-nitro-4-(pentan-3-ylamino)benzonitrile Traditional Name: 4-(1-ethylpropylamino)-3-nitro-benzonitrile Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2/c1-3-10(4-2)14-11-6-5-9(8-13)7-12(11)15(16)17/h5-7,10,14H,3-4H2,1-2H3