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

Systemtic Name: 2-[4-(azepan-2-ylidene)-4-nitro-3-oxidanylidene-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-(azepan-2-ylidene)-1-methyl-3-nitro-2-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-azepanylidene)-4-nitro-3-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-(azepan-2-ylidene)-4-nitro-3-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-(azepan-2-ylidene)-2-keto-1-methyl-3-nitro-propyl]isoindoline-1,3-quinone Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1CCCCCN1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)C(=C1CCCCCN1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H19N3O5/c1-11(20-17(23)12-7-4-5-8-13(12)18(20)24)16(22)15(21(25)26)14-9-3-2-6-10-19-14/h4-5,7-8,11,19H,2-3,6,9-10H2,1H3