4-(butylamino)-3-nitro-N'-propan-2-yl-benzenecarboximidamide

Systemtic Name: 4-(butylamino)-3-nitro-N'-propan-2-yl-benzenecarboximidamide Openeye Name: 4-(butylamino)-N'-isopropyl-3-nitro-benzamidine CAS Name: 4-(butylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide IUPAC Name: 4-(butylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide Traditional Name: 4-(butylamino)-N'-isopropyl-3-nitro-benzamidine Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(=NC(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(=NC(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O2/c1-4-5-8-16-12-7-6-11(9-13(12)18(19)20)14(15)17-10(2)3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H2,15,17)