methyl (E)-4-nitro-5-(3-nitrophenyl)pent-4-enoate

Systemtic Name: methyl (E)-4-nitro-5-(3-nitrophenyl)pent-4-enoate Openeye Name: methyl (E)-4-nitro-5-(3-nitrophenyl)pent-4-enoate CAS Name: (E)-4-nitro-5-(3-nitrophenyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-nitro-5-(3-nitrophenyl)pent-4-enoate Traditional Name: (E)-4-nitro-5-(3-nitrophenyl)pent-4-enoic acid methyl ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c1-20-12(15)6-5-11(14(18)19)8-9-3-2-4-10(7-9)13(16)17/h2-4,7-8H,5-6H2,1H3/b11-8+