(4-nitrophenyl)methyl 3-methyl-2-nitro-but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-nitro-but-2-enoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-nitro-but-2-enoate CAS Name: 3-methyl-2-nitro-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-nitrobut-2-enoate Traditional Name: 3-methyl-2-nitro-but-2-enoic acid (4-nitrobenzyl) ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H12N2O6/c1-8(2)11(14(18)19)12(15)20-7-9-3-5-10(6-4-9)13(16)17/h3-6H,7H2,1-2H3