1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-2-pyridone Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O4/c1-4-7-18-11(2)8-14(12(18)3)15(20)10-17-9-13(19(22)23)5-6-16(17)21/h5-6,8-9H,4,7,10H2,1-3H3