methyl (E)-3-cyano-4-(2-nitrophenyl)but-3-enoate

Systemtic Name: methyl (E)-3-cyano-4-(2-nitrophenyl)but-3-enoate Openeye Name: methyl (E)-3-cyano-4-(2-nitrophenyl)but-3-enoate CAS Name: (E)-3-cyano-4-(2-nitrophenyl)-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-cyano-4-(2-nitrophenyl)but-3-enoate Traditional Name: (E)-3-cyano-4-(2-nitrophenyl)but-3-enoic acid methyl ester Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c1-18-12(15)7-9(8-13)6-10-4-2-3-5-11(10)14(16)17/h2-6H,7H2,1H3/b9-6+