4-(2,2-dimethylpropyl)-6-[3-[(E)-hydroxyiminomethyl]pyrrol-1-yl]-7-nitro-1H-quinoxaline-2,3-dione

Systemtic Name: 4-(2,2-dimethylpropyl)-6-[3-[(E)-hydroxyiminomethyl]pyrrol-1-yl]-7-nitro-1H-quinoxaline-2,3-dione Openeye Name: (3E)-1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carbaldehyde oxime CAS Name: (3E)-1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]-3-pyrrolecarboxaldehyde oxime IUPAC Name: 4-(2,2-dimethylpropyl)-6-[3-[(E)-hydroxyiminomethyl]pyrrol-1-yl]-7-nitro-1H-quinoxaline-2,3-dione Traditional Name: (3E)-1-(2,3-diketo-4-neopentyl-7-nitro-1H-quinoxalin-6-yl)pyrrole-3-carbaldehyde oxime Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC(=C3)C=NO

Isomeric SMILES

CC(C)(C)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC(=C3)/C=N/O

InChI

InChI=1S/C18H19N5O5/c1-18(2,3)10-22-13-7-14(21-5-4-11(9-21)8-19-26)15(23(27)28)6-12(13)20-16(24)17(22)25/h4-9,26H,10H2,1-3H3,(H,20,24)/b19-8+