5-(azepan-1-yl)-N-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-N-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(4-methoxy-2-nitro-phenyl)amine Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6/c1-30-12-6-7-13(15(10-12)24(26)27)20-14-11-16(23-8-4-2-3-5-9-23)19(25(28)29)18-17(14)21-31-22-18/h6-7,10-11,20H,2-5,8-9H2,1H3