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

Systemtic Name: 1-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-2-pyridone Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/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/h4-6,8-9H,1,7,10H2,2-3H3