N7-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(5-methoxy-2-methyl-4-nitrophenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-(5-methoxy-2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-(5-methoxy-2-methyl-4-nitro-anilino)-4-nitro-benzofurazan-5-yl]amine Formula: C21H18N6O6 MolecularWeight: 450.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O6/c1-12-8-17(26(28)29)18(32-2)10-14(12)23-15-9-16(22-11-13-6-4-3-5-7-13)21(27(30)31)20-19(15)24-33-25-20/h3-10,22-23H,11H2,1-2H3