2-[(2-methyl-3-nitro-phenyl)amino]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)amino]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(2-methyl-3-nitro-anilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-(2-methyl-3-nitroanilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(2-methyl-3-nitroanilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-(2-methyl-3-nitro-anilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C18H18N4O7/c1-11-12(4-2-5-14(11)21(24)25)19-10-18(23)20-13-8-16-17(9-15(13)22(26)27)29-7-3-6-28-16/h2,4-5,8-9,19H,3,6-7,10H2,1H3,(H,20,23)