methyl 3-(1-nitroethenyl)heptanoate

Systemtic Name: methyl 3-(1-nitroethenyl)heptanoate Openeye Name: methyl 3-(1-nitrovinyl)heptanoate CAS Name: 3-(1-nitroethenyl)heptanoic acid methyl ester IUPAC Name: methyl 3-(1-nitroethenyl)heptanoate Traditional Name: 3-butyl-4-nitro-pent-4-enoic acid methyl ester Formula: C10H17NO4 MolecularWeight: 215.24628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO4/c1-4-5-6-9(7-10(12)15-3)8(2)11(13)14/h9H,2,4-7H2,1,3H3