ethyl 3-(dimethylaminomethylideneamino)-1-methyl-5-nitro-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-(dimethylaminomethylideneamino)-1-methyl-5-nitro-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-(dimethylaminomethyleneamino)-1-methyl-5-nitro-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-(dimethylaminomethylideneamino)-1-methyl-5-nitro-2-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(dimethylaminomethylideneamino)-1-methyl-5-nitropyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(dimethylaminomethyleneamino)-1-methyl-5-nitro-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CN=C2N1C)[N+](=O)[O-])N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CN=C2N1C)[N+](=O)[O-])N=CN(C)C

InChI

InChI=1S/C14H17N5O4/c1-5-23-14(20)12-11(16-8-17(2)3)10-6-9(19(21)22)7-15-13(10)18(12)4/h6-8H,5H2,1-4H3