1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(6-nitro-1-indazolyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C18H18N4O3/c1-4-7-20-12(2)8-16(13(20)3)18(23)11-21-17-9-15(22(24)25)6-5-14(17)10-19-21/h4-6,8-10H,1,7,11H2,2-3H3