1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-4-8-18-11(2)9-13(12(18)3)14(20)10-23-15-6-5-7-17-16(15)19(21)22/h4-7,9H,1,8,10H2,2-3H3