3-nitro-4-[(phenylmethyl)amino]-N'-propan-2-yl-benzenecarboximidamide

Systemtic Name: 3-nitro-4-[(phenylmethyl)amino]-N'-propan-2-yl-benzenecarboximidamide Openeye Name: 4-(benzylamino)-N'-isopropyl-3-nitro-benzamidine CAS Name: 3-nitro-4-[(phenylmethyl)amino]-N'-propan-2-ylbenzenecarboximidamide IUPAC Name: 4-(benzylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide Traditional Name: 4-(benzylamino)-N'-isopropyl-3-nitro-benzamidine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)N=C(C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H20N4O2/c1-12(2)20-17(18)14-8-9-15(16(10-14)21(22)23)19-11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3,(H2,18,20)