(2-nitrophenyl) (2Z)-2-(1-nitropropan-2-ylidene)hexanoate

Systemtic Name: (2-nitrophenyl) (2Z)-2-(1-nitropropan-2-ylidene)hexanoate Openeye Name: (2-nitrophenyl) (2Z)-2-(1-methyl-2-nitro-ethylidene)hexanoate CAS Name: (2Z)-2-(1-nitropropan-2-ylidene)hexanoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) (2Z)-2-(1-nitropropan-2-ylidene)hexanoate Traditional Name: (Z)-2-butyl-3-methyl-4-nitro-but-2-enoic acid (2-nitrophenyl) ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C)C[N+](=O)[O-])C(=O)OC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCC/C(=C(\C)/C[N+](=O)[O-])/C(=O)OC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-3-4-7-12(11(2)10-16(19)20)15(18)23-14-9-6-5-8-13(14)17(21)22/h5-6,8-9H,3-4,7,10H2,1-2H3/b12-11-