2-nitroheptan-3-yl 4-nitrobenzoate

Systemtic Name: 2-nitroheptan-3-yl 4-nitrobenzoate Openeye Name: 1-(1-nitroethyl)pentyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-nitroheptan-3-yl ester IUPAC Name: 2-nitroheptan-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-(1-nitroethyl)pentyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-3-4-5-13(10(2)15(18)19)22-14(17)11-6-8-12(9-7-11)16(20)21/h6-10,13H,3-5H2,1-2H3