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

Systemtic Name: 4-(butylamino)-3-nitro-N'-propan-2-yl-benzenecarboximidamide hydrochloride Openeye Name: 4-(butylamino)-N'-isopropyl-3-nitro-benzamidine hydrochloride CAS Name: 4-(butylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide hydrochloride IUPAC Name: 4-(butylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide hydrochloride Traditional Name: 4-(butylamino)-N'-isopropyl-3-nitro-benzamidine hydrochloride Formula: C14H23ClN4O2 MolecularWeight: 314.81102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2.ClH/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);1H