3-oxidanylidenebutan-2-yl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: 3-oxidanylidenebutan-2-yl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (1-methyl-2-oxo-propyl) (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (2-keto-1-methyl-propyl) ester Formula: C13H12ClNO5 MolecularWeight: 297.69108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)OC(=O)/C=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClNO5/c1-8(16)9(2)20-13(17)6-4-10-3-5-11(14)12(7-10)15(18)19/h3-7,9H,1-2H3/b6-4+