(phenylmethyl) (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate Openeye Name: benzyl (E)-2-cyano-3-(5-nitro-2-thienyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(5-nitro-2-thiophenyl)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(5-nitro-2-thienyl)acrylic acid benzyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=C/C2=CC=C(S2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H10N2O4S/c16-9-12(8-13-6-7-14(22-13)17(19)20)15(18)21-10-11-4-2-1-3-5-11/h1-8H,10H2/b12-8+