1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-3-carbaldehyde

Systemtic Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-3-carbaldehyde Openeye Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carbaldehyde CAS Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]-3-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carbaldehyde Traditional Name: 1-(2,3-diketo-4-neopentyl-7-nitro-1H-quinoxalin-6-yl)pyrrole-3-carbaldehyde Formula: C18H18N4O5 MolecularWeight: 370.35932

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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=O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5/c1-18(2,3)10-21-13-7-14(20-5-4-11(8-20)9-23)15(22(26)27)6-12(13)19-16(24)17(21)25/h4-9H,10H2,1-3H3,(H,19,24)