N-butyl-5-morpholin-4-yl-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-butyl-5-morpholin-4-yl-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-N-butyl-5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-butyl-5-(4-morpholinyl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-N-butyl-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-butyl-(6-morpholino-7-nitro-benzofurazan-4-yl)amine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H25N5O4/c1-2-3-9-25(15-16-7-5-4-6-8-16)17-14-18(24-10-12-29-13-11-24)21(26(27)28)20-19(17)22-30-23-20/h4-8,14H,2-3,9-13,15H2,1H3