N-butyl-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-butyl-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: N-benzyl-N-butyl-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-butyl-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-benzyl-N-butyl-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: benzyl-butyl-(4-nitrobenzofurazan-5-yl)amine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=C(C3=NON=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=C(C3=NON=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3/c1-2-3-11-20(12-13-7-5-4-6-8-13)15-10-9-14-16(19-24-18-14)17(15)21(22)23/h4-10H,2-3,11-12H2,1H3