ethyl (E)-2-[2-(cyclopropylamino)-4-fluoranyl-3-methyl-5-nitro-phenyl]carbonyl-3-(dimethylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-[2-(cyclopropylamino)-4-fluoranyl-3-methyl-5-nitro-phenyl]carbonyl-3-(dimethylamino)prop-2-enoate Openeye Name: ethyl (E)-2-[2-(cyclopropylamino)-4-fluoro-3-methyl-5-nitro-benzoyl]-3-(dimethylamino)prop-2-enoate CAS Name: (E)-2-[[2-(cyclopropylamino)-4-fluoro-3-methyl-5-nitrophenyl]-oxomethyl]-3-(dimethylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[2-(cyclopropylamino)-4-fluoro-3-methyl-5-nitrobenzoyl]-3-(dimethylamino)prop-2-enoate Traditional Name: (E)-2-[2-(cyclopropylamino)-4-fluoro-3-methyl-5-nitro-benzoyl]-3-(dimethylamino)acrylic acid ethyl ester Formula: C18H22FN3O5 MolecularWeight: 379.382783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C)C)C(=O)C1=CC(=C(C(=C1NC2CC2)C)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/N(C)C)/C(=O)C1=CC(=C(C(=C1NC2CC2)C)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O5/c1-5-27-18(24)13(9-21(3)4)17(23)12-8-14(22(25)26)15(19)10(2)16(12)20-11-6-7-11/h8-9,11,20H,5-7H2,1-4H3/b13-9+