(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)iminomethyl 5-nitropyridine-3-carboxylate

Systemtic Name: (1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)iminomethyl 5-nitropyridine-3-carboxylate Openeye Name: (1-carbamoyl-1,2-dimethyl-propyl)iminomethyl 5-nitropyridine-3-carboxylate CAS Name: 5-nitro-3-pyridinecarboxylic acid (1-amino-2,3-dimethyl-1-oxobutan-2-yl)iminomethyl ester IUPAC Name: (1-amino-2,3-dimethyl-1-oxobutan-2-yl)iminomethyl 5-nitropyridine-3-carboxylate Traditional Name: 5-nitronicotinic acid (1-carbamoyl-1,2-dimethyl-propyl)iminomethyl ester Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)N=COC(=O)C1=CC(=CN=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)(C(=O)N)N=COC(=O)C1=CC(=CN=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c1-8(2)13(3,12(14)19)16-7-22-11(18)9-4-10(17(20)21)6-15-5-9/h4-8H,1-3H3,(H2,14,19)