propan-2-yl (E)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)acrylic acid isopropyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-8(2)20-13(17)10(7-14)5-9-3-4-12(16)11(6-9)15(18)19/h3-6,8,16H,1-2H3/b10-5+