propan-2-yl (E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylic acid isopropyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-8(2)22-14(18)10(7-15)4-9-5-11(16(19)20)13(17)12(6-9)21-3/h4-6,8,17H,1-3H3/b10-4+