tert-butyl 3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-(3-keto-6-nitro-4H-quinoxalin-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O

InChI

InChI=1S/C20H17N5O5/c1-20(2,3)30-19(27)24-10-13(12-5-4-8-21-17(12)24)16-18(26)23-15-9-11(25(28)29)6-7-14(15)22-16/h4-10H,1-3H3,(H,23,26)