2-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(azepane-1-carbonyl)-2-methyl-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(azepane-1-carbonyl)-2-methyl-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)N1CCCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-12(2)16(19(25)20-10-5-3-4-6-11-20)21-17(23)13-8-7-9-14(22(26)27)15(13)18(21)24/h7-9,12,16H,3-6,10-11H2,1-2H3