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

Systemtic Name: N7-(4-methoxy-2-nitro-phenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(4-methoxy-2-nitrophenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-(4-methoxy-2-nitro-anilino)-4-nitro-benzofurazan-5-yl]amine Formula: C20H16N6O6 MolecularWeight: 436.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O6/c1-31-13-7-8-14(17(9-13)25(27)28)22-15-10-16(21-11-12-5-3-2-4-6-12)20(26(29)30)19-18(15)23-32-24-19/h2-10,21-22H,11H2,1H3