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

Systemtic Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-3-carbonitrile Openeye Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carbonitrile CAS Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]-3-pyrrolecarbonitrile IUPAC Name: 1-[4-(2,2-dimethylpropyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carbonitrile Traditional Name: 1-(2,3-diketo-4-neopentyl-7-nitro-1H-quinoxalin-6-yl)pyrrole-3-carbonitrile Formula: C18H17N5O4 MolecularWeight: 367.35868

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4/c1-18(2,3)10-22-13-7-14(21-5-4-11(8-19)9-21)15(23(26)27)6-12(13)20-16(24)17(22)25/h4-7,9H,10H2,1-3H3,(H,20,24)